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.
________________________________________________________________________
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
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