[gmx-users] Fw: question about kalp15 in dppc justin tutorial
jalemkul at vt.edu
Mon Sep 28 22:22:08 CEST 2015
On 9/28/15 4:13 PM, neda razavi wrote:
> ----- Forwarded Message -----
> From: neda razavi <razavineda22 at yahoo.com>
> To: "" <gmx-users at gromacs.org>
> Sent: Monday, 28 September 2015, 22:50:04
> Subject: question about kalp15 in dppc justin tutorial
> when we run grompp command one of the outputs is mdout.mdp. can we use these files for our energy minimization step, after making necessary changes?
If you like, but the tutorial provides you everything you need and mdout.mdp is
the exact same as the input, except with a bunch of other default or unused
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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