[gmx-users] help

[qwang at mail.uh.edu]

Hi,
I am trying to simulate a protein with a DPC micelle. Part of pdb files is:

CRYST1    0.000    0.000    0.000  90.00  90.00  90.00 P 1           1
ATOM      1  N   DPC M   1     -16.481  21.283  -0.739  1.00  0.00      MICE
ATOM      2  C14 DPC M   1     -15.620  20.082  -1.136  1.00  0.00      MICE
ATOM      3  C15 DPC M   1     -17.727  20.772  -0.234  1.00  0.00      MICE
ATOM      4  C16 DPC M   1     -15.792  22.061   0.317  1.00  0.00      MICE
ATOM      5  C17 DPC M   1     -16.780  22.230  -1.919  1.00  0.00      MICE
ATOM      6 H141 DPC M   1     -14.613  20.409  -1.348  1.00  0.00      MICE
ATOM      7 H142 DPC M   1     -16.000  19.717  -2.079  1.00  0.00      MICE
ATOM      8 H151 DPC M   1     -18.375  21.592   0.038  1.00  0.00      MICE
ATOM      9 H152 DPC M   1     -17.513  20.198   0.656  1.00  0.00      MICE

But when I use the command pdb2gmx, it is said "Residue 'DPC' not found in residue topology database". How can I deal with it? Thank you.

sincerely yours,
Wang Qian

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