[gmx-users] residue IDs are not ordered in gro file.

[BIN ZHANG]

Dear Justin:

Thanks a lot for your reply.

I indeed have missing residues in the second chain. However, when I  
try pdb2gmx -renum, it renumbers the second chain starting from 1,  
rather than starting from 817(Nres_1st+1).

Thanks,
Bin



=====================================
   816VAL   HG1313296  -3.347   0.716   6.099
   816VAL    CG213297  -3.088   0.611   6.105
   816VAL   HG2113298  -3.036   0.707   6.088
   816VAL   HG2213299  -3.131   0.613   6.208
   816VAL   HG2313300  -3.013   0.530   6.100
   816VAL      C13301  -3.375   0.483   6.144
   816VAL    OT113302  -3.466   0.460   6.111
   816VAL    OT213303  -3.326   0.517   6.224
     1ALA      N13304  -2.528   1.672   1.358
     1ALA     H113305  -2.582   1.754   1.340
     1ALA     H213306  -2.430   1.694   1.354
     1ALA     H313307  -2.550   1.635   1.448
     1ALA     CA13308  -2.558   1.573   1.259

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