On Apr 16, 2018, at 7:57 AM, <Alex <alexanderwie...@gmail.com> wrote:
> Date: Mon, 16 Apr 2018 06:28:52 -0400 > From: Alex <alexanderwie...@gmail.com> > To: gmx-us...@gromacs.org > Subject: [gmx-users] gromos54a7 - topolbuild > Message-ID: > <CAEDv6u77fkb0FcLGzE2V+Bz=fs5yuwksnxf_cjmuo5qmnh3...@mail.gmail.com> > Content-Type: text/plain; charset="UTF-8" > > Dear all, > I wonder if the topolbuild can provide the gromos 54A7 (gmx54a7) FF? > > Regards, > Alex The standard files for topolbuild do not contain anything for gmx54a7. Since these are text files, it should be simple to follow the examples of the gmx files given and build equivalent files for gmx54a7 given appropriate data from gmx54a7. However this has not been done. Alternatively, it should be simple to use one of the gmx files given in topolbuild to generate the outline, and to edit the topolbuild output with a text editor as needed to use gmx54a7 parameters. -- Bruce D. Ray, Ph.D. Associate Scientist IUPUI Physics Dept. 402 N. Blackford St., Rm. LD-061 Indianapolis, IN 46202 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
