On 11/9/15 8:33 AM, Mishelle Oña wrote:
Hi, Yes I remember. However I only found that MM/PBSA could be done only with
NAMD. Is it posible to make it in gromacs? Could you explain me a little bit
how it works o any helpfull link?Mishelle
Google knows all about it. There's a program and even a publication for you to
read about it. "GROMACS MMPBSA" turns it up.
-Justin
To: gmx-us...@gromacs.org
From: jalem...@vt.edu
Date: Mon, 9 Nov 2015 08:30:06 -0500
Subject: Re: [gmx-users] Tools for energy of solvation in polimers
On 11/9/15 8:18 AM, Mishelle Oña wrote:
OK I understand, so you think I couldn´t use Gromacs to calculate the Energy
of Solvation? If that is the case could you help me with a tutorial or other
tipe of information that could help me with this staff. Please I have been
struggling with this for weeks. I need to solve it
I already made such a recommendation:
https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2015-October/101722.html
-Justin
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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==================================================
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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