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root/freemol/branches/sync4pymol12/src/mengine/src/estrbnd.c
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# Line 37 | Line 37
37        energies.estrbnd = 0;
38        if (minim_values.iprint && strbnd.nstrbnd > 0)
39        {
40 <          fprintf(pcmoutfile,"\nStretch-Bend Terms\n");
41 <          fprintf(pcmoutfile,"          At1     At2    At3      Angle     Anat   StbnCst1   StbnCst2  Estb\n");
40 >          fprintf(pcmlogfile,"\nStretch-Bend Terms\n");
41 >          fprintf(pcmlogfile,"          At1     At2    At3      Angle     Anat   StbnCst1   StbnCst2  Estb\n");
42        }
43        
44        for (i=0; i < strbnd.nstrbnd; i++)
# Line 90 | Line 90
90                 atom[ic].energy += e;
91  
92                 if (minim_values.iprint)
93 <                 fprintf(pcmoutfile,"StrBnd: %2s(%-3d)-%2s(%-3d)-%2s(%-3d) : %-8.3f %-8.3f %-8.3f %-8.3f = %-8.4f\n",
93 >                 fprintf(pcmlogfile,"StrBnd: %2s(%-3d)-%2s(%-3d)-%2s(%-3d) : %-8.3f %-8.3f %-8.3f %-8.3f = %-8.4f\n",
94                      atom[ia].name, ia,atom[ib].name, ib,atom[ic].name, ic,angle,angles.anat[ij],
95                      strbnd.ksb1[i],strbnd.ksb2[i], e);
96              }

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