--- trunk/OOPSE-4/samples/minimizer/water.md	2004/09/24 04:16:43	1490
+++ trunk/OOPSE-4/samples/minimizer/water.md	2005/12/06 16:49:59	2489
@@ -1,6 +1,6 @@
 molecule{
   name = "SSD_E";
-  nAtoms = 1;
+  
   atom[0]{
     type = "SSD_E";
     position( 0.0, 0.0, 0.0 );
@@ -10,7 +10,7 @@ molecule{
 
 molecule{
   name = "SSD_RF";
-  nAtoms = 1;
+  
   atom[0]{
     type = "SSD_RF";
     position( 0.0, 0.0, 0.0 );
@@ -20,7 +20,7 @@ molecule{
 
 molecule{
   name = "SSD";
-  nAtoms = 1;
+  
   atom[0]{
     type = "SSD";
     position( 0.0, 0.0, 0.0 );
@@ -30,7 +30,7 @@ molecule{
 
 molecule{
   name = "SSD1";
-  nAtoms = 1;
+  
   atom[0]{
     type = "SSD1";
     position( 0.0, 0.0, 0.0 );
@@ -40,7 +40,7 @@ molecule{
 
 molecule{
   name = "TIP3P";
-  nAtoms = 3;
+  
   atom[0]{
     type = "O_TIP3P";
     position( 0.0, 0.0, -0.06556 );
@@ -54,15 +54,15 @@ molecule{
     position( 0.0, -0.75695, 0.52032 );
   }
 
-  nRigidBodies = 1;
+  
   rigidBody[0]{ 
-    nMembers = 3;
+    
     members(0, 1, 2);
   }
 
-  nCutoffGroups = 1;
-  cutoffGroup[0]{
-    nMembers = 3;
+  
+  cutoffGroup{
+    
     members(0, 1, 2);
   }
 
@@ -70,7 +70,7 @@ molecule{
 
 molecule{
   name = "TIP4P";
-  nAtoms = 4;
+  
   atom[0]{
     type = "O_TIP4P";
     position( 0.0, 0.0, -0.06556 );
@@ -87,15 +87,15 @@ molecule{
     type = "EP_TIP4P";
     position( 0.0, 0.0, 0.08444 );
   }
-  nRigidBodies = 1;
+  
   rigidBody[0]{
-    nMembers = 4;
+    
     members(0, 1, 2, 3);
   }
 
-  nCutoffGroups = 1;
-  cutoffGroup[0]{
-    nMembers = 4;
+  
+  cutoffGroup{
+    
     members(0, 1, 2, 3);
   }
 
@@ -103,7 +103,7 @@ molecule{
 
 molecule{
   name = "TIP5P";
-  nAtoms = 5;
+  
   atom[0]{
     type = "O_TIP5P";
     position( 0.0, 0.0, -0.06556 );
@@ -124,15 +124,15 @@ molecule{
     type = "EP_TIP5P";
     position( -0.57154, 0.0, -0.46971 );
   }
-  nRigidBodies = 1;
+  
   rigidBody[0]{
-    nMembers = 5;
+    
     members(0, 1, 2, 3, 4);
   }
 
-  nCutoffGroups = 1;
-  cutoffGroup[0]{
-    nMembers = 5;
+  
+  cutoffGroup{
+    
     members(0, 1, 2, 3, 4);
   }
 
@@ -140,7 +140,7 @@ molecule{
 
 molecule{
   name = "SPCE";
-  nAtoms = 3;
+  
   atom[0]{
     type = "O_SPCE";
     position( 0.0, 0.0, -0.06461 );
@@ -153,15 +153,15 @@ molecule{
     type = "H_SPCE";
     position( 0.0, -0.81649, 0.51275 );
   }
-  nRigidBodies = 1;
+  
   rigidBody[0]{
-    nMembers = 3;
+    
     members(0, 1, 2);
   }
 
-  nCutoffGroups = 1;
-  cutoffGroup[0]{
-    nMembers = 3;
+  
+  cutoffGroup{
+    
     members(0, 1, 2);
   }
 
@@ -169,7 +169,7 @@ molecule{
 
 molecule{
   name = "DPD";
-  nAtoms = 1;
+  
   atom[0]{
     type = "DPD";
     position(0.0, 0.0, 0.0);
@@ -178,7 +178,7 @@ molecule{
 
 molecule{
   name = "OFAKE";
-  nAtoms = 1;
+  
   atom[0]{
     type = "O_TIP3P";
     position( 0.0, 0.0, -0.06556 );
@@ -187,7 +187,7 @@ molecule{
 
 molecule{
   name = "HFAKE";
-  nAtoms = 1;
+  
   atom[0]{
     type = "H_FAKE";
     position( 0.0, 0.0, -0.06556 );