[gmx-users] pdb2gmx fatal error
Dave Hassan
punk.dervish.physics at gmail.com
Fri Jun 26 21:12:37 CEST 2009
Hi,
I'm trying to run a simple simulation of a DNA hairpin pdb entry 1pqt.
When I run pdb2gmx with the G43a1 force field I get the error:
Warning: 'DG' not found in residue topology database, trying to use 'DGUA'
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Program pdb2gmx, VERSION 4.0.5
Source code file: pdb2gmx.c, line: 429
Fatal error:
Atom O5' in residue DGUA 1 not found in rtp entry with 25 atoms
while sorting atoms
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any hints?
Thanks,
Dave Hassan
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