[gmx-users] Need topology for selenomethionine

David van der Spoel spoel at xray.bmc.uu.se
Wed Jun 14 13:30:08 CEST 2006

Sridhar Acharya wrote:
> Hi all,
> Has anybody built a gromax topology for selenomethionine?
> How the topology can be incorporated into the existing gromacs topology 
> files?
It might exist on the website. You just need to replace the sulphur by 
Se, probably with a slightly larger sigma. Check literature as well for 
the force field you want.

> thanks in advance.
> sridhar
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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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