--- trunk/mdtools/md_code/Symplectic.cpp	2002/07/09 18:40:59	11
+++ trunk/mdtools/md_code/Symplectic.cpp	2002/07/09 21:46:32	25
@@ -129,6 +129,7 @@ void Symplectic::integrate( void ){
   double angle;   // the angle through which to rotate the rotation matrix
   double A[3][3]; // the rotation matrix
 
+  int time;
 
   double dt          = entry_plug->dt;
   double runTime     = entry_plug->run_time;
@@ -170,6 +171,9 @@ void Symplectic::integrate( void ){
     tStats->velocitize();
   }
   
+  dump_out->writeDump( 0.0 );
+  e_out->writeStat( 0.0 );
+
   if( n_constrained ){
 
     double *Rx = new double[nAtoms];
@@ -358,12 +362,14 @@ void Symplectic::integrate( void ){
 	  dAtom->setJz( ji[2] );
 	}
       }
-    
-      if( entry_plug->setTemp ){
-	if( !(tl % vel_n) ) tStats->velocitize();
+     
+      time = tl + 1;
+      
+      if( entry_plug->setTemp ){
+	if( !(time % vel_n) ) tStats->velocitize();
       }
-      if( !(tl % sample_n) ) dump_out->writeDump( tl * dt );
-      if( !(tl % status_n) ) e_out->writeStat( tl * dt );
+      if( !(time % sample_n) ) dump_out->writeDump( time * dt );
+      if( !(time % status_n) ) e_out->writeStat( time * dt );
     }
   }
   else{
@@ -521,12 +527,14 @@ void Symplectic::integrate( void ){
 	  dAtom->setJz( ji[2] );
 	}
       }
-    
+      
+      time = tl + 1;
+      
       if( entry_plug->setTemp ){
-	if( !(tl % vel_n) ) tStats->velocitize();
+	if( !(time % vel_n) ) tStats->velocitize();
       }
-      if( !(tl % sample_n) ) dump_out->writeDump( tl * dt );
-      if( !(tl % status_n) ) e_out->writeStat( tl * dt );
+      if( !(time % sample_n) ) dump_out->writeDump( time * dt );
+      if( !(time % status_n) ) e_out->writeStat( time * dt );
     }
   }