[gmx-users] Selenomethionine in pdb file

Mark Abraham Mark.Abraham at anu.edu.au
Thu Aug 11 11:46:35 CEST 2011

On 11/08/2011 2:10 PM, R.Vidya Rajendran (10PHD013) wrote:
> Hello Friends,
> I would like to do simulation of a protein containing
> 'selenomethionine' [MSE] in coordinate file, during the first step of
> pdb2gmx this residue is not recognizing by any of the force field and
> getting fatal error 'Residue 'MSE' not found in residue topology
> database'.
> Please help me to rectify this problem

See http://www.gromacs.org/Documentation/Errors, like a recent version 
of GROMACS will have suggested that you do.

> tahnks.
> regards
> vidya

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