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root/freemol/trunk/src/mengine/src/gmmx_run.c
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# Line 122 | Line 122
122   #ifdef KEG_DEBUG
123               minim_values.iprint = TRUE;
124               //  for(i=1; i<= natom; i++)
125 <             //  printf("Atom: %d  %d %x\n",i,atom.type[i],atom.flags[i]);
125 >             //  fprintf(pcmlogfile,"Atom: %d  %d %x\n",i,atom.type[i],atom.flags[i]);
126   #endif
127              nret = setup_calculation();
128  
129   #ifdef KEG_DEBUG
130              print_energy_totals();
131              // for(i=1; i<= natom; i++)
132 <            //printf("Atom: %d  %d %x\n",i,atom[i].type,atom[i].flags);
132 >            //  fprintf(pcmlogfile,"Atom: %d  %d %x\n",i,atom[i].type,atom[i].flags);
133              //if (minim_values.iprint == TRUE) exit(0);
134              minim_values.iprint = FALSE;
135   #endif

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