[gmx-users] pdb2gmx and protein DNA complexes

Debojyoti Dutta ddutta at usc.edu
Wed Nov 8 18:08:21 CET 2006


Hi

I am trying to simulate a protein DNA complex but I am stuck at the pdb2gmx
stage as it gets stuck when it encounters a nucleotide.

Program pdb2gmx, VERSION 3.3
Source code file: resall.c, line: 438

Fatal error:
Residue 'C' not found in residue topology database

The pdb segment is as follows:

ATOM   1239  NZ  LYS B 513     -24.159  16.372 -25.774  1.00 51.42
N
ATOM   1249  N1    C C   1     -10.253   8.018  40.704  1.00 25.86
N

Has anyone encountered this problem before?

Regards
Debo

-- 
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Debojyoti Dutta, PhD (USC)
http://catarina.usc.edu/~ddutta
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