[gmx-users] epoxide group parameters

Justin Lemkul jalemkul at vt.edu
Sun May 5 02:51:38 CEST 2013

On 5/4/13 8:44 PM, Amir Abbasi wrote:
> Hi,
> 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.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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