Hi, There are two scripts make_gromos_rtp in the scripts directory which were used to convert Gromos AA topologies to rtp entries.
Cheers, Berk ---------------------------------------- > From: stephane.a...@cea.fr > To: gmx-users@gromacs.org > Date: Thu, 14 Feb 2013 11:34:59 +0000 > Subject: [gmx-users] Re: GROMOS54A8 parameters in GROMACS format > > Hello, > > Yeap, I have seen the links on ATB. Indeed, the conversion of the bonded > terms (in this file 54a8.ifp ?) will be not too hard, but it is not the case > for the AA topology where several changes were done. > > So any help will be appreciate.. > > Stephane > > ------------------------------ > > Message: 5 > Date: Thu, 14 Feb 2013 11:18:17 +0100 > From: "lloyd riggs" <lloyd.ri...@gmx.ch> > Subject: Re: [gmx-users] GROMOS54A8 parameters in GROMACS format > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <20130214101817.72...@gmx.net> > Content-Type: text/plain; charset="utf-8" > > Dear Stephane Abel, > > Theres a link I on the gromacs web site to ATB, or you can google it. If it > is not in Gromacs format you can just write a couple 6 liner scripts to > re-format it by parsing into the gromacs format, > > Stephan Watkins > > -------- Original-Nachricht -------- > > Datum: Wed, 13 Feb 2013 21:25:33 +0000 > > Von: ABEL Stephane 175950 <stephane.a...@cea.fr> > > An: "gmx-users@gromacs.org" <gmx-users@gromacs.org> > > Betreff: [gmx-users] GROMOS54A8 parameters in GROMACS format > > > Hello all, > > > > Does somebody know where i can find the latest GROMOS force field (i.e. > > GROMOS54A8) described in [1] in the GROMACS format (gromos54a7.ff) ? > > > > [1] Reif et al. J. Chem. Theory Comput. 2013, 9, 1247???1264 doi: > > http://pubs.acs.org/doi/citedby/10.1021/ct300156h > > > > Thank you > > > > Stephane > > > ------------------------------ > > -- > gmx-users mailing list > gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > End of gmx-users Digest, Vol 106, Issue 73 > ****************************************** > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
