[gmx-users] output pdb reformatted

[Alex]

Hi all,

I have a tiny acetonitrile molecule here. The input pdb prior to EM is this:

TITLE     Gromacs Runs On Most of All Computer Systems
REMARK    THIS IS A SIMULATION BOX
CRYST1   30.000   30.000   30.000  90.00  90.00  90.00 P 1
MODEL        1
ATOM      1  CT  ACT     1      14.870  14.744  14.594  1.00  0.00
  C
ATOM      2  HC  ACT     1      15.390  13.760  14.594  1.00  0.00
  H
ATOM      3  HC  ACT     1      13.769  14.581  14.594  1.00  0.00
  H
ATOM      4  HC  ACT     1      15.162  15.317  13.685  1.00  0.00
  H
ATOM      5  CZ  ACT     1      15.253  15.501  15.794  1.00  0.00
  C
ATOM      6  NZ  ACT     1      15.555  16.097  16.740  1.00  0.00
  N
TER
ENDMDL

The output, however, is this:

TITLE     Great Red Owns Many ACres of Sand
REMARK    THIS IS A SIMULATION BOX
CRYST1   30.000   30.000   30.000  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  1    CT     1      15.013  15.013  14.819  1.00  0.00
  C
ATOM      2  1    HC     1      14.952  13.831  14.385  1.00  0.00
  H
ATOM      3  1    HC     1      13.827  14.934  14.400  1.00  0.00
  H
ATOM      4  1    HC     1      15.140  15.157  13.573  1.00  0.00
  H
ATOM      5  2    CZ     1      15.821  15.819  16.308  1.00  0.00
  C
ATOM      6  2    NZ     1      16.401  16.397  17.446  1.00  0.00
  N
TER
ENDMDL

Why? I don't think I've seen this happen before, and I'd like to keep the
initial format. Any suggestions? My itp is for an ACT residue, which is
included in the simulation topology input.

Thank you,

Alex