[gmx-users] using enegygrps

Justin Lemkul jalemkul at vt.edu
Thu Feb 15 14:28:40 CET 2018

On 2/14/18 11:16 PM, kordzadeh at aut.ac.ir wrote:
> Hi Dr.Lemkul
> Thank you very much for your answer and your time
>   I 'm using Gromos 54a7 force field, How can I find my force field is parametrized in such a way that the nonbonded energy decomposition has some physical meaning?

In your case, such a calculation would not correspond to any real quantity.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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