[gmx-users] Tools for energy of solvation in polimers

[Mishelle Oña]

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

> 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:
> 
> 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
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> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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