[gmx-users] add force field

[David van der Spoel]

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.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se