On 2011-02-09 08.56, lina zhao wrote:
Hi,
Anyone has successfully tried to add some new force field in the default
force field (in 4.5)
so pdb2gmx can show up the (newly-added) force field which will also be
recognized by gromacs,
Thanks,
lina
Yes it's easy technically.
Just copy e.g. oplsaa.ff to new.ff and edit the files in that directory
(not easy).
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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