[gmx-users] Charmm to Gromacs itps
atb files
atbfiles at zoho.com
Tue Jan 28 09:50:38 CET 2020
@Justin: the lipid is not yet added to the charmm directory. Any script?@Michele: pdb2gmx only works for proteins.-YogeshSent using Zoho Mail---- On Mon, 27 Jan 2020 19:34:34 +0530 Justin Lemkul<jalemkul at vt.edu> wrote ----On 1/27/20 4:51 AM, atb files wrote:> >> > Hello users,I have .pdb, .psf and .crd file for one system. How to use them (convert to itp) in Gromacs? Thanks. YogesgSent using Zoho Mail> > Prepare the system with CHARMM-GUI and it will give you all the necessary inputs for running in GROMACS.-Justin-- ==================================================Justin A. Lemkul, Ph.D.Assistant ProfessorOffice: 301 Fralin HallLab: 303 Engel HallVirginia Tech Department of Biochemistry340 West Campus Dr.Blacksburg, VA 24061jalemkul at vt.edu | (540) 231-3129http://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 visithttps://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.
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