- if(toEquilibrate && nequileft > 0) {
- _reset();
- *log << "SIM: Starting equilibration." << endl << flush;
- if (nequileft != nequi)
- *log << "SIM: " << nequileft << " of " << nequi << " equilibration steps left after virtual equilibration." << endl << flush;
- progress equiProg(nequileft);
- for( int iequi=0; iequi<nequileft; iequi++ ) {
- _makeSweep();
- while( equiProg.madeStep(iequi) ) *log << "SIM: " << equiProg.done()*100 << "% of equilibration done." << endl << flush;
- }
+ /* equilibrate if necessary */
+ if (nequileft > 0) {
+ *log << "SIM: Starting equilibration." << endl << flush;
+ if (nequileft != nequi)
+ *log << "SIM: " << nequileft << " of " << nequi << " equilibration steps left after virtual equilibration." << endl << flush;
+ progress equiProg(nequileft);
+ for ( int iequi=0; iequi<nequileft; iequi++ ) {
+ _makeSweep();
+ while( equiProg.madeStep(iequi) ) *log << "SIM: " << equiProg.done()*100 << "% of equilibration done." << endl << flush;