[gmx-users] epoxide group parameters
jalemkul at vt.edu
Sun May 5 02:51:38 CEST 2013
On 5/4/13 8:44 PM, Amir Abbasi wrote:
> I have epoxide group in the molecule that i want to simulate. but there is no parameters reported for this functional group.
> How can i obtain parameters of epoxide group?
Derive them in a manner consistent with the parent force field that you have
decided to use.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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