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root/freemol/trunk/src/mengine/src/gmmx_run.c
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# Line 152 | Line 152
152              }
153              type();
154          
155 <            //     minim_values.iprint = TRUE;
155 >            //  minim_values.iprint = TRUE;
156              nret = setup_calculation();
157 +            //  for(i=1; i<= natom; i++)
158 +            // printf("Atom: %d  %d %x\n",i,atom[i].type,atom[i].flags);
159              //      if (minim_values.iprint == TRUE) exit(0);
160              if (nret == TRUE)
161                {

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