[gmx-users] Topology database

[David van der Spoel]

Dhananjay wrote:
> Hello all,
> 
> 
> 
> while pdb2gmx on my pdb I got following error
> 
> -------------------------------------------------------
> Program pdb2gmx, VERSION 3.3
> Source code file: resall.c, line: 438
> 
> Fatal error:
> Residue 'MSE' not found in residue topology database
> 
> 
> 
> Will it be possible to add MSE in topology database of Gromacs?
> If yes then how to add it ?
> 
>  if anyone have any other solution please tell me....
chapter 5 in the manual
and plz search the mailing list
> 
> Thanking you in advance.....
> 
> 
> 
> ------------------------------------------------------------------------
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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