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

Tasneem Kausar tasneemkausar12 at gmail.com
Sat Feb 17 04:19:07 CET 2018

mdp file is parameter file for md simulations.
You need to copy if you want to use the parameters used in the tutorial.
You can also change that parameter according to your use and need.

On Sat, Feb 17, 2018 at 7:34 AM, neelam wafa <neelam.wafa at gmail.com> wrote:

> ---------- 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>
> Cc:
> Hi
> 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.
> Regards
> Neelam
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