[gmx-users] Fwd: how to get .mdp files

neelam wafa neelam.wafa at gmail.com
Sat Feb 17 03:04:51 CET 2018

---------- Forwarded message ----------
From: "neelam wafa" <neelam.wafa at gmail.com>
Date: 17 Feb 2018 00:57
Subject: how to get .mdp files
To: <gromacs.org_gmx-users-owner at maillist.sys.kth.se>

I am new to this list. I have run the gromacs tutorial ' lysosime in
water'. now i have to run a protein ligand simmulation. But i am confused
about how to generate .mdp files as in tutorial they have used five .mdp
files which are to be downloaded from bevanlab.biochem. These are ions.mdp,
em.mdp, nvt.mdp, npt.mdp and md.mdp. Are the same files to be used or these
have to be generated with aome software according to the protein and ligand.

Thanks in advance.


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