[gmx-users] PDB2GMX error in charmm27 Forcefield
David van der Spoel
spoel at xray.bmc.uu.se
Sun Apr 22 18:39:22 CEST 2012
On 2012-04-22 17:11, Mark Abraham wrote:
> On 22/04/2012 10:58 PM, sai nitin wrote:
>> Hi all,
>> Im using Charmm27 Forcefield to generate topology of my protein by
>> using PDB2GMX tool but is showing
>> Fatal Error
>> Atom OG is used in an interaction of type atom in the topology
>> database, but an atom of that name was not found in residue
>> number 178.
>> Can any body tell me how to solve this...
> No. We don't know your pdb2gmx command line or what is in your system or
> what is happening at residue 178.
more likely your protein is missing a side chain.
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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