[gmx-users] Tools for energy of solvation in polimers
jalemkul at vt.edu
Mon Nov 9 14:38:57 CET 2015
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.
>> To: gmx-users at gromacs.org
>> From: jalemkul at 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:
>> 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
>> Gromacs Users mailing list
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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
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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