[gmx-users] Charmm to Gromacs itps

[atb files]

            @Justin, thank you Justin. I will give it a try then. @Miro, sure, I will look into it, thank you. - Yogesh---- On Fri, 31 Jan 2020 20:24:36 +0530  Miro Astore<miro.astore at gmail.com> wrote ----Would topotools in vmd not work in this context? I haven't used it but readabout it recently and it would seem this is the use case. Of course youalso need parameters. Wondering.Best, MiroLe sam. 1 févr. 2020 à 00:55, Justin Lemkul <jalemkul at vt.edu> a écrit :>>> On 1/31/20 8:25 AM, atb files wrote:> >> >> >> >              The files are given on the following server:> https://terpconnect.umd.edu/~jbklauda/memb.htmlThey have simulated> systems using NAMD.>> If the individual topologies are not available anywhere, just a PSF,> then you will have to write your own converter program to transform the> PSF into GROMACS .top format. PSF is very verbose so this should be> straightforward.>> -Justin>> --> ==================================================>> Justin A. Lemkul, Ph.D.> Assistant Professor> Office: 301 Fralin Hall> Lab: 303 Engel Hall>> Virginia Tech Department of Biochemistry> 340 West Campus Dr.> Blacksburg, VA 24061>> jalemkul at vt.edu | (540) 231-3129> http://www.thelemkullab.com>> ==================================================>> --> 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-request at gromacs.org.>-- 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 visithttps://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.