--- trunk/src/mdParser/MDParser.cpp	2010/05/10 17:28:26	1442
+++ trunk/src/mdParser/MDParser.cpp	2014/12/02 22:11:04	2046
@@ -1,4 +1,4 @@
-/* $ANTLR 2.7.7 (20090623): "MDParser.g" -> "MDParser.cpp"$ */
+/* $ANTLR 2.7.7 (20141024): "MDParser.g" -> "MDParser.cpp"$ */
 #include "MDParser.hpp"
 #include <antlr/NoViableAltException.hpp>
 #include <antlr/SemanticException.hpp>
@@ -100,6 +100,27 @@ void MDParser::statement() {
 			statement_AST = currentAST.root;
 			break;
 		}
+		case FLUCQ:
+		{
+			flucqblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			statement_AST = currentAST.root;
+			break;
+		}
+		case RNEMD:
+		{
+			rnemdblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			statement_AST = currentAST.root;
+			break;
+		}
+		case MINIMIZER:
+		{
+			minimizerblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			statement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -167,9 +188,9 @@ void MDParser::componentblock() {
 		tmp6_AST = astFactory->create(LT(1));
 		astFactory->addASTChild(currentAST, tmp6_AST);
 		match(RCURLY);
-#line 67 "MDParser.g"
+#line 95 "MDParser.g"
 		tmp6_AST->setType(ENDBLOCK);
-#line 173 "MDParser.cpp"
+#line 194 "MDParser.cpp"
 		componentblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -197,19 +218,19 @@ void MDParser::moleculeblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop18;
+				goto _loop27;
 			}
 			
 		}
-		_loop18:;
+		_loop27:;
 		} // ( ... )*
 		ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 		tmp9_AST = astFactory->create(LT(1));
 		astFactory->addASTChild(currentAST, tmp9_AST);
 		match(RCURLY);
-#line 76 "MDParser.g"
+#line 113 "MDParser.g"
 		tmp9_AST->setType(ENDBLOCK);
-#line 213 "MDParser.cpp"
+#line 234 "MDParser.cpp"
 		moleculeblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -247,9 +268,9 @@ void MDParser::zconstraintblock() {
 		tmp12_AST = astFactory->create(LT(1));
 		astFactory->addASTChild(currentAST, tmp12_AST);
 		match(RCURLY);
-#line 70 "MDParser.g"
+#line 98 "MDParser.g"
 		tmp12_AST->setType(ENDBLOCK);
-#line 253 "MDParser.cpp"
+#line 274 "MDParser.cpp"
 		zconstraintblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -287,9 +308,9 @@ void MDParser::restraintblock() {
 		tmp15_AST = astFactory->create(LT(1));
 		astFactory->addASTChild(currentAST, tmp15_AST);
 		match(RCURLY);
-#line 73 "MDParser.g"
+#line 101 "MDParser.g"
 		tmp15_AST->setType(ENDBLOCK);
-#line 293 "MDParser.cpp"
+#line 314 "MDParser.cpp"
 		restraintblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -297,6 +318,126 @@ void MDParser::restraintblock() {
 		recover(ex,_tokenSet_2);
 	}
 	returnAST = restraintblock_AST;
+}
+
+void MDParser::flucqblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST flucqblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp16_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp16_AST);
+		match(FLUCQ);
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == ID)) {
+				assignment();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop18;
+			}
+			
+		}
+		_loop18:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp18_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp18_AST);
+		match(RCURLY);
+#line 104 "MDParser.g"
+		tmp18_AST->setType(ENDBLOCK);
+#line 354 "MDParser.cpp"
+		flucqblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_2);
+	}
+	returnAST = flucqblock_AST;
+}
+
+void MDParser::rnemdblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp19_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp19_AST);
+		match(RNEMD);
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == ID)) {
+				assignment();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop21;
+			}
+			
+		}
+		_loop21:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp21_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp21_AST);
+		match(RCURLY);
+#line 107 "MDParser.g"
+		tmp21_AST->setType(ENDBLOCK);
+#line 394 "MDParser.cpp"
+		rnemdblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_2);
+	}
+	returnAST = rnemdblock_AST;
+}
+
+void MDParser::minimizerblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST minimizerblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp22_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp22_AST);
+		match(MINIMIZER);
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == ID)) {
+				assignment();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop24;
+			}
+			
+		}
+		_loop24:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp24_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp24_AST);
+		match(RCURLY);
+#line 110 "MDParser.g"
+		tmp24_AST->setType(ENDBLOCK);
+#line 434 "MDParser.cpp"
+		minimizerblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_2);
+	}
+	returnAST = minimizerblock_AST;
 }
 
 void MDParser::constant() {
@@ -322,20 +463,27 @@ void MDParser::constant() {
 			constant_AST = currentAST.root;
 			break;
 		}
+		case LPAREN:
+		{
+			vectorConst();
+			astFactory->addASTChild( currentAST, returnAST );
+			constant_AST = currentAST.root;
+			break;
+		}
 		case ID:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp16_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp16_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp25_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp25_AST);
 			match(ID);
 			constant_AST = currentAST.root;
 			break;
 		}
 		case StringLiteral:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp17_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp17_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp26_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp26_AST);
 			match(StringLiteral);
 			constant_AST = currentAST.root;
 			break;
@@ -362,18 +510,18 @@ void MDParser::intConst() {
 		switch ( LA(1)) {
 		case NUM_INT:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp18_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp18_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp27_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp27_AST);
 			match(NUM_INT);
 			intConst_AST = currentAST.root;
 			break;
 		}
 		case NUM_LONG:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp19_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp19_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp28_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp28_AST);
 			match(NUM_LONG);
 			intConst_AST = currentAST.root;
 			break;
@@ -400,18 +548,18 @@ void MDParser::floatConst() {
 		switch ( LA(1)) {
 		case NUM_FLOAT:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp20_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp20_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp20_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp29_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp29_AST);
 			match(NUM_FLOAT);
 			floatConst_AST = currentAST.root;
 			break;
 		}
 		case NUM_DOUBLE:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp21_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp21_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp30_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp30_AST);
 			match(NUM_DOUBLE);
 			floatConst_AST = currentAST.root;
 			break;
@@ -427,6 +575,31 @@ void MDParser::floatConst() {
 		recover(ex,_tokenSet_7);
 	}
 	returnAST = floatConst_AST;
+}
+
+void MDParser::vectorConst() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST vectorConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp31_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp31_AST);
+		match(LPAREN);
+		doubleNumberTuple();
+		astFactory->addASTChild( currentAST, returnAST );
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp32_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp32_AST);
+		match(RPAREN);
+		vectorConst_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_5);
+	}
+	returnAST = vectorConst_AST;
 }
 
 void MDParser::moleculestatement() {
@@ -499,6 +672,13 @@ void MDParser::moleculestatement() {
 			moleculestatement_AST = currentAST.root;
 			break;
 		}
+		case CONSTRAINT:
+		{
+			constraintblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			moleculestatement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -518,9 +698,9 @@ void MDParser::atomblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp22_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp22_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp33_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp33_AST);
 		match(ATOM);
 		match(LBRACKET);
 		intConst();
@@ -534,19 +714,19 @@ void MDParser::atomblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop22;
+				goto _loop31;
 			}
 			
 		}
-		_loop22:;
+		_loop31:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp26_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp26_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp37_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp37_AST);
 		match(RCURLY);
-#line 90 "MDParser.g"
-		tmp26_AST->setType(ENDBLOCK);
-#line 550 "MDParser.cpp"
+#line 128 "MDParser.g"
+		tmp37_AST->setType(ENDBLOCK);
+#line 730 "MDParser.cpp"
 		atomblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -562,9 +742,9 @@ void MDParser::bondblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp27_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp27_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp38_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp38_AST);
 		match(BOND);
 		{
 		switch ( LA(1)) {
@@ -588,24 +768,24 @@ void MDParser::bondblock() {
 		match(LCURLY);
 		{ // ( ... )*
 		for (;;) {
-			if ((LA(1) == MEMBERS || LA(1) == ID)) {
+			if ((_tokenSet_10.member(LA(1)))) {
 				bondstatement();
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop27;
+				goto _loop36;
 			}
 			
 		}
-		_loop27:;
+		_loop36:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp31_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp31_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp42_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp42_AST);
 		match(RCURLY);
-#line 99 "MDParser.g"
-		tmp31_AST->setType(ENDBLOCK);
-#line 609 "MDParser.cpp"
+#line 138 "MDParser.g"
+		tmp42_AST->setType(ENDBLOCK);
+#line 789 "MDParser.cpp"
 		bondblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -621,9 +801,9 @@ void MDParser::bendblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp32_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp32_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp43_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp43_AST);
 		match(BEND);
 		{
 		switch ( LA(1)) {
@@ -647,24 +827,24 @@ void MDParser::bendblock() {
 		match(LCURLY);
 		{ // ( ... )*
 		for (;;) {
-			if ((LA(1) == MEMBERS || LA(1) == ID)) {
+			if ((_tokenSet_11.member(LA(1)))) {
 				bendstatement();
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop32;
+				goto _loop41;
 			}
 			
 		}
-		_loop32:;
+		_loop41:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp36_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp36_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp36_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp47_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp47_AST);
 		match(RCURLY);
-#line 106 "MDParser.g"
-		tmp36_AST->setType(ENDBLOCK);
-#line 668 "MDParser.cpp"
+#line 151 "MDParser.g"
+		tmp47_AST->setType(ENDBLOCK);
+#line 848 "MDParser.cpp"
 		bendblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -680,9 +860,9 @@ void MDParser::torsionblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp37_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp37_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp37_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp48_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp48_AST);
 		match(TORSION);
 		{
 		switch ( LA(1)) {
@@ -706,24 +886,24 @@ void MDParser::torsionblock() {
 		match(LCURLY);
 		{ // ( ... )*
 		for (;;) {
-			if ((LA(1) == MEMBERS || LA(1) == ID)) {
+			if ((_tokenSet_12.member(LA(1)))) {
 				torsionstatement();
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop37;
+				goto _loop46;
 			}
 			
 		}
-		_loop37:;
+		_loop46:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp41_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp41_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp41_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp52_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp52_AST);
 		match(RCURLY);
-#line 113 "MDParser.g"
-		tmp41_AST->setType(ENDBLOCK);
-#line 727 "MDParser.cpp"
+#line 165 "MDParser.g"
+		tmp52_AST->setType(ENDBLOCK);
+#line 907 "MDParser.cpp"
 		torsionblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -739,9 +919,9 @@ void MDParser::inversionblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp42_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp42_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp42_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp53_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp53_AST);
 		match(INVERSION);
 		{
 		switch ( LA(1)) {
@@ -765,24 +945,24 @@ void MDParser::inversionblock() {
 		match(LCURLY);
 		{ // ( ... )*
 		for (;;) {
-			if ((LA(1) == CENTER || LA(1) == ID)) {
+			if ((_tokenSet_13.member(LA(1)))) {
 				inversionstatement();
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop42;
+				goto _loop51;
 			}
 			
 		}
-		_loop42:;
+		_loop51:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp46_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp46_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp46_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp57_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp57_AST);
 		match(RCURLY);
-#line 120 "MDParser.g"
-		tmp46_AST->setType(ENDBLOCK);
-#line 786 "MDParser.cpp"
+#line 180 "MDParser.g"
+		tmp57_AST->setType(ENDBLOCK);
+#line 966 "MDParser.cpp"
 		inversionblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -798,9 +978,9 @@ void MDParser::rigidbodyblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp47_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp47_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp47_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp58_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp58_AST);
 		match(RIGIDBODY);
 		match(LBRACKET);
 		intConst();
@@ -814,19 +994,19 @@ void MDParser::rigidbodyblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop46;
+				goto _loop55;
 			}
 			
 		}
-		_loop46:;
+		_loop55:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp51_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp51_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp51_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp62_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp62_AST);
 		match(RCURLY);
-#line 127 "MDParser.g"
-		tmp51_AST->setType(ENDBLOCK);
-#line 830 "MDParser.cpp"
+#line 193 "MDParser.g"
+		tmp62_AST->setType(ENDBLOCK);
+#line 1010 "MDParser.cpp"
 		rigidbodyblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -842,9 +1022,9 @@ void MDParser::cutoffgroupblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp52_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp52_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp52_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp63_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp63_AST);
 		match(CUTOFFGROUP);
 		{
 		switch ( LA(1)) {
@@ -873,19 +1053,19 @@ void MDParser::cutoffgroupblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop51;
+				goto _loop60;
 			}
 			
 		}
-		_loop51:;
+		_loop60:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp56_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp56_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp56_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp67_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp67_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp67_AST);
 		match(RCURLY);
-#line 134 "MDParser.g"
-		tmp56_AST->setType(ENDBLOCK);
-#line 889 "MDParser.cpp"
+#line 200 "MDParser.g"
+		tmp67_AST->setType(ENDBLOCK);
+#line 1069 "MDParser.cpp"
 		cutoffgroupblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -901,9 +1081,9 @@ void MDParser::fragmentblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp57_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp57_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp57_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp68_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp68_AST);
 		match(FRAGMENT);
 		match(LBRACKET);
 		intConst();
@@ -917,19 +1097,19 @@ void MDParser::fragmentblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop55;
+				goto _loop64;
 			}
 			
 		}
-		_loop55:;
+		_loop64:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp61_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp61_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp61_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp72_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp72_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp72_AST);
 		match(RCURLY);
-#line 141 "MDParser.g"
-		tmp61_AST->setType(ENDBLOCK);
-#line 933 "MDParser.cpp"
+#line 207 "MDParser.g"
+		tmp72_AST->setType(ENDBLOCK);
+#line 1113 "MDParser.cpp"
 		fragmentblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -939,6 +1119,65 @@ void MDParser::fragmentblock() {
 	returnAST = fragmentblock_AST;
 }
 
+void MDParser::constraintblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp73_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp73_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp73_AST);
+		match(CONSTRAINT);
+		{
+		switch ( LA(1)) {
+		case LBRACKET:
+		{
+			match(LBRACKET);
+			intConst();
+			match(RBRACKET);
+			break;
+		}
+		case LCURLY:
+		{
+			break;
+		}
+		default:
+		{
+			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
+		}
+		}
+		}
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == MEMBERS || LA(1) == ID)) {
+				constraintstatement();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop69;
+			}
+			
+		}
+		_loop69:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp77_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp77_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp77_AST);
+		match(RCURLY);
+#line 213 "MDParser.g"
+		tmp77_AST->setType(ENDBLOCK);
+#line 1172 "MDParser.cpp"
+		constraintblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_8);
+	}
+	returnAST = constraintblock_AST;
+}
+
 void MDParser::atomstatement() {
 	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
@@ -955,9 +1194,9 @@ void MDParser::atomstatement() {
 		}
 		case POSITION:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp62_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp62_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp62_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp78_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp78_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp78_AST);
 			match(POSITION);
 			match(LPAREN);
 			doubleNumberTuple();
@@ -969,9 +1208,9 @@ void MDParser::atomstatement() {
 		}
 		case ORIENTATION:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp66_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp66_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp66_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp82_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp82_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp82_AST);
 			match(ORIENTATION);
 			match(LPAREN);
 			doubleNumberTuple();
@@ -981,6 +1220,20 @@ void MDParser::atomstatement() {
 			atomstatement_AST = currentAST.root;
 			break;
 		}
+		case CHARGE:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp86_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp86_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp86_AST);
+			match(CHARGE);
+			match(LPAREN);
+			floatConst();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			atomstatement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -989,7 +1242,7 @@ void MDParser::atomstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_10);
+		recover(ex,_tokenSet_14);
 	}
 	returnAST = atomstatement_AST;
 }
@@ -1010,17 +1263,17 @@ void MDParser::doubleNumberTuple() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop59;
+				goto _loop73;
 			}
 			
 		}
-		_loop59:;
+		_loop73:;
 		} // ( ... )*
 		doubleNumberTuple_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_11);
+		recover(ex,_tokenSet_15);
 	}
 	returnAST = doubleNumberTuple_AST;
 }
@@ -1041,9 +1294,9 @@ void MDParser::bondstatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp71_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp71_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp71_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp91_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp91_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp91_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1053,6 +1306,90 @@ void MDParser::bondstatement() {
 			bondstatement_AST = currentAST.root;
 			break;
 		}
+		case FIXED:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp95_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp95_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp95_AST);
+			match(FIXED);
+			match(LPAREN);
+			floatConst();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bondstatement_AST = currentAST.root;
+			break;
+		}
+		case HARMONIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp99_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp99_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp99_AST);
+			match(HARMONIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bondstatement_AST = currentAST.root;
+			break;
+		}
+		case CUBIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp103_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp103_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp103_AST);
+			match(CUBIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bondstatement_AST = currentAST.root;
+			break;
+		}
+		case QUARTIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp107_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp107_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp107_AST);
+			match(QUARTIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bondstatement_AST = currentAST.root;
+			break;
+		}
+		case POLYNOMIAL:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp111_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp111_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp111_AST);
+			match(POLYNOMIAL);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bondstatement_AST = currentAST.root;
+			break;
+		}
+		case MORSE:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp115_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp115_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp115_AST);
+			match(MORSE);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bondstatement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -1061,7 +1398,7 @@ void MDParser::bondstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_16);
 	}
 	returnAST = bondstatement_AST;
 }
@@ -1082,17 +1419,17 @@ void MDParser::inttuple() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop62;
+				goto _loop76;
 			}
 			
 		}
-		_loop62:;
+		_loop76:;
 		} // ( ... )*
 		inttuple_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_11);
+		recover(ex,_tokenSet_15);
 	}
 	returnAST = inttuple_AST;
 }
@@ -1113,9 +1450,9 @@ void MDParser::bendstatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp76_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp76_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp76_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp120_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp120_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp120_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1125,6 +1462,104 @@ void MDParser::bendstatement() {
 			bendstatement_AST = currentAST.root;
 			break;
 		}
+		case HARMONIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp124_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp124_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp124_AST);
+			match(HARMONIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bendstatement_AST = currentAST.root;
+			break;
+		}
+		case GHOSTBEND:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp128_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp128_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp128_AST);
+			match(GHOSTBEND);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bendstatement_AST = currentAST.root;
+			break;
+		}
+		case UREYBRADLEY:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp132_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp132_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp132_AST);
+			match(UREYBRADLEY);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bendstatement_AST = currentAST.root;
+			break;
+		}
+		case CUBIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp136_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp136_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp136_AST);
+			match(CUBIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bendstatement_AST = currentAST.root;
+			break;
+		}
+		case QUARTIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp140_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp140_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp140_AST);
+			match(QUARTIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bendstatement_AST = currentAST.root;
+			break;
+		}
+		case POLYNOMIAL:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp144_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp144_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp144_AST);
+			match(POLYNOMIAL);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bendstatement_AST = currentAST.root;
+			break;
+		}
+		case COSINE:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp148_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp148_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp148_AST);
+			match(COSINE);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			bendstatement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -1133,7 +1568,7 @@ void MDParser::bendstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_17);
 	}
 	returnAST = bendstatement_AST;
 }
@@ -1154,9 +1589,9 @@ void MDParser::torsionstatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp80_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp80_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp152_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp152_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp152_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1166,6 +1601,118 @@ void MDParser::torsionstatement() {
 			torsionstatement_AST = currentAST.root;
 			break;
 		}
+		case GHOSTTORSION:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp156_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp156_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp156_AST);
+			match(GHOSTTORSION);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			torsionstatement_AST = currentAST.root;
+			break;
+		}
+		case CUBIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp160_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp160_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp160_AST);
+			match(CUBIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			torsionstatement_AST = currentAST.root;
+			break;
+		}
+		case QUARTIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp164_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp164_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp164_AST);
+			match(QUARTIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			torsionstatement_AST = currentAST.root;
+			break;
+		}
+		case POLYNOMIAL:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp168_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp168_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp168_AST);
+			match(POLYNOMIAL);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			torsionstatement_AST = currentAST.root;
+			break;
+		}
+		case CHARMM:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp172_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp172_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp172_AST);
+			match(CHARMM);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			torsionstatement_AST = currentAST.root;
+			break;
+		}
+		case OPLS:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp176_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp176_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp176_AST);
+			match(OPLS);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			torsionstatement_AST = currentAST.root;
+			break;
+		}
+		case TRAPPE:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp180_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp180_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp180_AST);
+			match(TRAPPE);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			torsionstatement_AST = currentAST.root;
+			break;
+		}
+		case HARMONIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp184_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp184_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp184_AST);
+			match(HARMONIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			torsionstatement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -1174,7 +1721,7 @@ void MDParser::torsionstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_18);
 	}
 	returnAST = torsionstatement_AST;
 }
@@ -1195,18 +1742,102 @@ void MDParser::inversionstatement() {
 		}
 		case CENTER:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp84_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp84_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp188_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp188_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp188_AST);
 			match(CENTER);
 			match(LPAREN);
 			intConst();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			inversionstatement_AST = currentAST.root;
+			break;
+		}
+		case SATELLITES:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp192_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp192_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp192_AST);
+			match(SATELLITES);
+			match(LPAREN);
+			inttuple();
 			astFactory->addASTChild( currentAST, returnAST );
 			match(RPAREN);
 			match(SEMICOLON);
 			inversionstatement_AST = currentAST.root;
 			break;
 		}
+		case AMBERIMPROPER:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp196_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp196_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp196_AST);
+			match(AMBERIMPROPER);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			inversionstatement_AST = currentAST.root;
+			break;
+		}
+		case IMPROPERCOSINE:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp200_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp200_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp200_AST);
+			match(IMPROPERCOSINE);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			inversionstatement_AST = currentAST.root;
+			break;
+		}
+		case HARMONIC:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp204_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp204_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp204_AST);
+			match(HARMONIC);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			inversionstatement_AST = currentAST.root;
+			break;
+		}
+		case CENTRALATOMHEIGHT:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp208_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp208_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp208_AST);
+			match(CENTRALATOMHEIGHT);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			inversionstatement_AST = currentAST.root;
+			break;
+		}
+		case DREIDING:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp212_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp212_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp212_AST);
+			match(DREIDING);
+			match(LPAREN);
+			doubleNumberTuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			inversionstatement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -1215,7 +1846,7 @@ void MDParser::inversionstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_13);
+		recover(ex,_tokenSet_19);
 	}
 	returnAST = inversionstatement_AST;
 }
@@ -1236,9 +1867,9 @@ void MDParser::rigidbodystatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp88_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp88_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp88_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp216_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp216_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp216_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1256,7 +1887,7 @@ void MDParser::rigidbodystatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_20);
 	}
 	returnAST = rigidbodystatement_AST;
 }
@@ -1277,9 +1908,9 @@ void MDParser::cutoffgroupstatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp92_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp92_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp92_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp220_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp220_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp220_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1297,7 +1928,7 @@ void MDParser::cutoffgroupstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_20);
 	}
 	returnAST = cutoffgroupstatement_AST;
 }
@@ -1314,11 +1945,52 @@ void MDParser::fragmentstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_14);
+		recover(ex,_tokenSet_21);
 	}
 	returnAST = fragmentstatement_AST;
 }
 
+void MDParser::constraintstatement() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST constraintstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		switch ( LA(1)) {
+		case ID:
+		{
+			assignment();
+			astFactory->addASTChild( currentAST, returnAST );
+			constraintstatement_AST = currentAST.root;
+			break;
+		}
+		case MEMBERS:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp224_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp224_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp224_AST);
+			match(MEMBERS);
+			match(LPAREN);
+			inttuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			constraintstatement_AST = currentAST.root;
+			break;
+		}
+		default:
+		{
+			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
+		}
+		}
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_20);
+	}
+	returnAST = constraintstatement_AST;
+}
+
 void MDParser::doubleNumber() {
 	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
@@ -1351,14 +2023,14 @@ void MDParser::doubleNumber() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_15);
+		recover(ex,_tokenSet_22);
 	}
 	returnAST = doubleNumber_AST;
 }
 
 void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory )
 {
-	factory.setMaxNodeType(53);
+	factory.setMaxNodeType(77);
 }
 const char* MDParser::tokenNames[] = {
 	"<0>",
@@ -1376,11 +2048,35 @@ const char* MDParser::tokenNames[] = {
 	"\"inversion\"",
 	"\"rigidBody\"",
 	"\"cutoffGroup\"",
+	"\"constraint\"",
+	"\"distance\"",
 	"\"fragment\"",
 	"\"members\"",
 	"\"center\"",
+	"\"satellites\"",
 	"\"position\"",
 	"\"orientation\"",
+	"\"flucQ\"",
+	"\"RNEMD\"",
+	"\"minimizer\"",
+	"\"Fixed\"",
+	"\"Harmonic\"",
+	"\"Cubic\"",
+	"\"Quartic\"",
+	"\"Polynomial\"",
+	"\"Morse\"",
+	"\"GhostBend\"",
+	"\"UreyBradley\"",
+	"\"Cosine\"",
+	"\"GhostTorsion\"",
+	"\"Charmm\"",
+	"\"Opls\"",
+	"\"Trappe\"",
+	"\"AmberImproper\"",
+	"\"ImproperCosine\"",
+	"\"CentralAtomHeight\"",
+	"\"Dreiding\"",
+	"\"charge\"",
 	"ENDBLOCK",
 	"ID",
 	"ASSIGNEQUAL",
@@ -1418,57 +2114,92 @@ const char* MDParser::tokenNames[] = {
 	0
 };
 
-const unsigned long MDParser::_tokenSet_0_data_[] = { 2097392UL, 0UL, 0UL, 0UL };
-// "component" "molecule" "zconstraint" "restraint" ID 
+const unsigned long MDParser::_tokenSet_0_data_[] = { 58720496UL, 8192UL, 0UL, 0UL };
+// "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" 
+// ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4);
 const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL };
 // EOF 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4);
-const unsigned long MDParser::_tokenSet_2_data_[] = { 2097394UL, 0UL, 0UL, 0UL };
-// EOF "component" "molecule" "zconstraint" "restraint" ID 
+const unsigned long MDParser::_tokenSet_2_data_[] = { 58720498UL, 8192UL, 0UL, 0UL };
+// EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" 
+// "minimizer" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4);
-const unsigned long MDParser::_tokenSet_3_data_[] = { 70254578UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_3_data_[] = { 4294901746UL, 274431UL, 0UL, 0UL };
 // EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" 
-// "torsion" "inversion" "rigidBody" "cutoffGroup" "fragment" "members" 
-// "center" "position" "orientation" ID RCURLY 
+// "torsion" "inversion" "rigidBody" "cutoffGroup" "constraint" "fragment" 
+// "members" "center" "satellites" "position" "orientation" "flucQ" "RNEMD" 
+// "minimizer" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" 
+// "GhostBend" "UreyBradley" "Cosine" "GhostTorsion" "Charmm" "Opls" "Trappe" 
+// "AmberImproper" "ImproperCosine" "CentralAtomHeight" "Dreiding" "charge" 
+// ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4);
-const unsigned long MDParser::_tokenSet_4_data_[] = { 2162432UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_4_data_[] = { 196352UL, 8192UL, 0UL, 0UL };
 // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" 
-// "fragment" ID 
+// "constraint" "fragment" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4);
-const unsigned long MDParser::_tokenSet_5_data_[] = { 8388608UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_5_data_[] = { 0UL, 32768UL, 0UL, 0UL };
 // SEMICOLON 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4);
-const unsigned long MDParser::_tokenSet_6_data_[] = { 3498049536UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_6_data_[] = { 0UL, 13664256UL, 0UL, 0UL };
 // SEMICOLON RBRACKET RPAREN COMMA 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4);
-const unsigned long MDParser::_tokenSet_7_data_[] = { 3229614080UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_7_data_[] = { 0UL, 12615680UL, 0UL, 0UL };
 // SEMICOLON RPAREN COMMA 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4);
-const unsigned long MDParser::_tokenSet_8_data_[] = { 69271296UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_8_data_[] = { 196352UL, 270336UL, 0UL, 0UL };
 // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" 
-// "fragment" ID RCURLY 
+// "constraint" "fragment" ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4);
-const unsigned long MDParser::_tokenSet_9_data_[] = { 2883584UL, 0UL, 0UL, 0UL };
-// "position" "orientation" ID 
+const unsigned long MDParser::_tokenSet_9_data_[] = { 6291456UL, 10240UL, 0UL, 0UL };
+// "position" "orientation" "charge" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4);
-const unsigned long MDParser::_tokenSet_10_data_[] = { 69992448UL, 0UL, 0UL, 0UL };
-// "position" "orientation" ID RCURLY 
+const unsigned long MDParser::_tokenSet_10_data_[] = { 4228120576UL, 8192UL, 0UL, 0UL };
+// "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" 
+// ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4);
-const unsigned long MDParser::_tokenSet_11_data_[] = { 1073741824UL, 0UL, 0UL, 0UL };
-// RPAREN 
+const unsigned long MDParser::_tokenSet_11_data_[] = { 2013528064UL, 8199UL, 0UL, 0UL };
+// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley" 
+// "Cosine" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4);
-const unsigned long MDParser::_tokenSet_12_data_[] = { 69271552UL, 0UL, 0UL, 0UL };
-// "members" ID RCURLY 
+const unsigned long MDParser::_tokenSet_12_data_[] = { 2013528064UL, 8312UL, 0UL, 0UL };
+// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm" 
+// "Opls" "Trappe" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4);
-const unsigned long MDParser::_tokenSet_13_data_[] = { 69337088UL, 0UL, 0UL, 0UL };
-// "center" ID RCURLY 
+const unsigned long MDParser::_tokenSet_13_data_[] = { 135790592UL, 10112UL, 0UL, 0UL };
+// "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight" 
+// "Dreiding" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4);
-const unsigned long MDParser::_tokenSet_14_data_[] = { 69206016UL, 0UL, 0UL, 0UL };
-// ID RCURLY 
+const unsigned long MDParser::_tokenSet_14_data_[] = { 6291456UL, 272384UL, 0UL, 0UL };
+// "position" "orientation" "charge" ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4);
-const unsigned long MDParser::_tokenSet_15_data_[] = { 3221225472UL, 0UL, 0UL, 0UL };
-// RPAREN COMMA 
+const unsigned long MDParser::_tokenSet_15_data_[] = { 0UL, 4194304UL, 0UL, 0UL };
+// RPAREN 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4);
+const unsigned long MDParser::_tokenSet_16_data_[] = { 4228120576UL, 270336UL, 0UL, 0UL };
+// "members" "Fixed" "Harmonic" "Cubic" "Quartic" "Polynomial" "Morse" 
+// ID RCURLY 
+const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_16(_tokenSet_16_data_,4);
+const unsigned long MDParser::_tokenSet_17_data_[] = { 2013528064UL, 270343UL, 0UL, 0UL };
+// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostBend" "UreyBradley" 
+// "Cosine" ID RCURLY 
+const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_17(_tokenSet_17_data_,4);
+const unsigned long MDParser::_tokenSet_18_data_[] = { 2013528064UL, 270456UL, 0UL, 0UL };
+// "members" "Harmonic" "Cubic" "Quartic" "Polynomial" "GhostTorsion" "Charmm" 
+// "Opls" "Trappe" ID RCURLY 
+const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_18(_tokenSet_18_data_,4);
+const unsigned long MDParser::_tokenSet_19_data_[] = { 135790592UL, 272256UL, 0UL, 0UL };
+// "center" "satellites" "Harmonic" "AmberImproper" "ImproperCosine" "CentralAtomHeight" 
+// "Dreiding" ID RCURLY 
+const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_19(_tokenSet_19_data_,4);
+const unsigned long MDParser::_tokenSet_20_data_[] = { 262144UL, 270336UL, 0UL, 0UL };
+// "members" ID RCURLY 
+const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_20(_tokenSet_20_data_,4);
+const unsigned long MDParser::_tokenSet_21_data_[] = { 0UL, 270336UL, 0UL, 0UL };
+// ID RCURLY 
+const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_21(_tokenSet_21_data_,4);
+const unsigned long MDParser::_tokenSet_22_data_[] = { 0UL, 12582912UL, 0UL, 0UL };
+// RPAREN COMMA 
+const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_22(_tokenSet_22_data_,4);