[gmx-users] pdb2gmx fatal error

Dave Hassan punk.dervish.physics at gmail.com
Fri Jun 26 21:12:37 CEST 2009


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'

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

any hints?

Dave Hassan

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