[gmx-users] add force field
David van der Spoel
spoel at xray.bmc.uu.se
Wed Feb 9 09:02:15 CET 2011
On 2011-02-09 08.56, lina zhao wrote:
> 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,
Yes it's easy technically.
Just copy e.g. oplsaa.ff to new.ff and edit the files in that directory
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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