Merge release-4-6 into master

[alexxy/gromacs.git] / src / tools / gmx_rmsf.c

diff --git a/src/tools/gmx_rmsf.c b/src/tools/gmx_rmsf.c
index d648937c66b9e1444bdec3cf034003cebebfcea6..55631fc532299d7146225e36d795d21bc8eaf5a9 100644 (file)
--- a/src/tools/gmx_rmsf.c
+++ b/src/tools/gmx_rmsf.c
@@ -422,7 +422,7 @@ int gmx_rmsf(int argc,char *argv[])
                                 *(top.atoms.atomname[index[i]]));
        
        fprintf(fp,"%5d  %10.5f  %10.5f\n",
-               bRes ? top.atoms.resinfo[top.atoms.atom[index[i]].resind].nr : i+1,rmsf[i]*bfac,
+               bRes ? top.atoms.resinfo[top.atoms.atom[index[i]].resind].nr : index[i]+1,rmsf[i]*bfac,
                pdb_bfac);
       }
     }
@@ -433,7 +433,7 @@ int gmx_rmsf(int argc,char *argv[])
       if (!bRes || i+1==isize ||
          top.atoms.atom[index[i]].resind!=top.atoms.atom[index[i+1]].resind)
        fprintf(fp,"%5d %8.4f\n",
-               bRes ? top.atoms.resinfo[top.atoms.atom[index[i]].resind].nr : i+1,sqrt(rmsf[i]));
+               bRes ? top.atoms.resinfo[top.atoms.atom[index[i]].resind].nr : index[i]+1,sqrt(rmsf[i]));
     ffclose(fp);
   }
   
@@ -451,7 +451,7 @@ int gmx_rmsf(int argc,char *argv[])
       if (!bRes || i+1==isize ||
          top.atoms.atom[index[i]].resind!=top.atoms.atom[index[i+1]].resind)
        fprintf(fp,"%5d %8.4f\n",
-               bRes ? top.atoms.resinfo[top.atoms.atom[index[i]].resind].nr : i+1,sqrt(rmsf[i]));
+               bRes ? top.atoms.resinfo[top.atoms.atom[index[i]].resind].nr : index[i]+1,sqrt(rmsf[i]));
     ffclose(fp);
   }