[gmx-users] Lie method for binding free energy calculations

Andrea Spitaleri Andrea.Spitaleri at iit.it
Fri Oct 25 17:58:45 CEST 2013

You can email me we have a tool for mmpbsa with gromacs


Messaggio inviato dal mio ASUS MeMO Pad

Justin Lemkul <jalemkul at vt.edu> ha scritto:

On 10/25/13 11:43 AM, Sajad Ahrari wrote:
> is AMBER facilities the only way of approaching MM-PBSA calculations? could you
> lead me to any other software more friendly with Gromacs MD output?

See what Google tells you.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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

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