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root/group/trunk/mdtools/interface_implementation/SimSetup.cpp
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Comparing trunk/mdtools/interface_implementation/SimSetup.cpp (file contents):
Revision 248 by chuckv, Mon Jan 27 19:28:21 2003 UTC vs.
Revision 249 by chuckv, Mon Jan 27 21:28:19 2003 UTC

# Line 189 | Line 189 | void SimSetup::createSim( void ){
189        if( currentStamp == NULL ){
190          sprintf( painCave.errMsg,
191                   "SimSetup error: Component \"%s\" was not found in the "
192 <                 "list of declared molecules\n"
192 >                 "list of declared molecules\n",
193                   id );
194          painCave.isFatal = 1;
195          simError();
# Line 567 | Line 567 | void SimSetup::createSim( void ){
567  
568   //   new AllLong( simnfo );
569  
570 <  if( !strcmp( force_field, "TraPPE" ) ) new Verlet( *simnfo );
570 >  if( !strcmp( force_field, "TraPPE" ) ) new Verlet( *simnfo, the_ff );
571    if( !strcmp( force_field, "DipoleTest" ) ) new Symplectic( simnfo );
572    if( !strcmp( force_field, "TraPPE_Ex" ) ) new Symplectic( simnfo );
573    if( !strcmp( force_field, "LJ" ) ) new Verlet( *simnfo, the_ff );
# Line 657 | Line 657 | void SimSetup::makeBonds( void ){
657    the_bonds = new bond_pair[tot_bonds];
658    index = 0;
659    offset = 0;
660 <  molIndex = 0;g1
660 >  molIndex = 0;
661  
662    for( i=0; i<n_components; i++ ){
663  

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