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root/freemol/trunk/src/mengine/src/eimptors.c
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# Line 33 | Line 33
33      *eimptors = 0.0;
34      if (minim_values.iprint)
35      {
36 <      printf("\nAmber Torsion Terms\n");
37 <      printf("        At1      At2      At3      At4       Types          Angle     V1      V2        V3         Etor\n");
36 >      fprintf(pcmlogfile,"\nAmber Torsion Terms\n");
37 >      fprintf(pcmlogfile,"        At1      At2      At3      At4       Types          Angle     V1      V2        V3         Etor\n");
38      }
39  
40      for (i = 0; i < nimptors; i++)
# Line 93 | Line 93
93                 *eimptors += e;
94                 if(minim_values.iprint)
95                 {
96 <                 printf("ImpTor:  (%-3d)- (%-3d)- (%-3d)- (%-3d)    %d %d %d %d     %8.3f    %-8.3f %-8.3f %-8.3f = %-8.4f\n",
96 >                 fprintf(pcmlogfile,"ImpTor:  (%-3d)- (%-3d)- (%-3d)- (%-3d)    %d %d %d %d     %8.3f    %-8.3f %-8.3f %-8.3f = %-8.4f\n",
97                     ia,ib,ic,id, type[ia], type[ib],type[ic],type[id], radian*acos(cosine),v1,v2,v3,e);
98                 }
99              }

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