[gmx-users] Charmm to Gromacs itps

Michele Pellegrino micpel at kth.se
Mon Jan 27 11:57:00 CET 2020


Hi,

have you tried gmx pdb2gmx -f <pdb-file-name>?

Michele
________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of atb files <atbfiles at zoho.com>
Sent: 27 January 2020 10:51
To: gromacs.org_gmx-users
Subject: [gmx-users] Charmm to Gromacs itps

            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








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