I do believe so. ^_^ it works beautifully with the newly-added force field.
Thanks, lina On Wed, Feb 9, 2011 at 5:11 PM, Mark Abraham <[email protected]>wrote: > On 9/02/2011 7:47 PM, lina zhao wrote: > > > 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. > > > The mechanism changed in 4.5. Now "forcefield.*" files do something > significant. Look at the contents and see. > > Mark > > > 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 >> > > > > -- > 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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