--- trunk/mdtools/md_code/Verlet.cpp	2002/07/09 19:09:24	24
+++ trunk/mdtools/md_code/Verlet.cpp	2002/07/09 21:46:32	25
@@ -224,6 +224,8 @@ void Verlet::integrate( void ){
   double *Fy = new double[c_natoms];
   double *Fz = new double[c_natoms];
   
+  int time;
+
   double dt = entry_plug->dt;
   double runTime = entry_plug->run_time;
   double sampleTime = entry_plug->sampleTime;
@@ -257,6 +259,9 @@ void Verlet::integrate( void ){
     tStats->velocitize();
   }
   
+  dump_out->writeDump( 0.0 );
+  e_out->writeStat( 0.0 );
+
   if( c_is_constrained ){
     for(i = 0; i < n_loops; i++){
       
@@ -340,13 +345,14 @@ void Verlet::integrate( void ){
 	c_atoms[j]->set_vy(Vy[j]);
 	c_atoms[j]->set_vz(Vz[j]);
       }
+      
+      time = i + 1;
       
       if( entry_plug->setTemp ){
-	if( !(i % vel_n) ) tStats->velocitize();
+	if( !(time % vel_n) ) tStats->velocitize();
       }
-      if( !(i % sample_n) ) dump_out->writeDump( i * dt );
-      if( !(i % status_n) ) e_out->writeStat( i * dt );
-
+      if( !(time % sample_n) ) dump_out->writeDump( time * dt );
+      if( !(time % status_n) ) e_out->writeStat( time * dt );
     }
   }
   else{
@@ -370,11 +376,13 @@ void Verlet::integrate( void ){
       
       move_b( dt );
 
+      time = i + 1;
+      
       if( entry_plug->setTemp ){
-	if( !(i % vel_n) ) tStats->velocitize();
+	if( !(time % vel_n) ) tStats->velocitize();
       }
-      if( !(i % sample_n) ) dump_out->writeDump( i * dt );
-      if( !(i % status_n) ) e_out->writeStat( i * dt );
+      if( !(time % sample_n) ) dump_out->writeDump( time * dt );
+      if( !(time % status_n) ) e_out->writeStat( time * dt );
     }
   }