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root/freemol/branches/sync4pymol12/src/mengine/src/ebufchrg.c
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# Line 54 | Line 54
54  
55     if (minim_values.iprint)
56     {
57 <       fprintf(pcmoutfile,"\nCharge-Charge Interactions\n");
58 <       fprintf(pcmoutfile,"      At1      At2      q1        q2         Rik          Eqq\n");
57 >       fprintf(pcmlogfile,"\nCharge-Charge Interactions\n");
58 >       fprintf(pcmlogfile,"      At1      At2      q1        q2         Rik          Eqq\n");
59     }
60     for (i=1; i <= natom; i++)
61        skip[i] = 0;
# Line 123 | Line 123
123                       atom[i].energy += e;
124                       atom[j].energy += e;
125                       if (minim_values.iprint)
126 <                      fprintf(pcmoutfile,"QQ: %2s(%-3d)- %2s(%-3d)   %-8.3f  %-8.3f   %-8.3f = %8.4f\n",
126 >                      fprintf(pcmlogfile,"QQ: %2s(%-3d)- %2s(%-3d)   %-8.3f  %-8.3f   %-8.3f = %8.4f\n",
127                         atom[i].name, i, atom[j].name, j,atom[i].charge, atom[j].charge,rik,e);
128                    }
129                  }

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