[gmx-users] using enegygrps
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.
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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