Hi, it works before I thought it might share some similarity with 4.0.7 which some bash file helps to update the ff information.
Thanks, lina On Wed, Feb 9, 2011 at 4:02 PM, David van der Spoel <[email protected]>wrote: > 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. > [email protected] http://folding.bmc.uu.se > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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