[gmx-users] md simulation of oil hydrocarbon / L-OPLS
jalemkul at vt.edu
Tue May 29 20:44:46 CEST 2018
On 5/29/18 2:43 PM, Atila Petrosian wrote:
> Dear Justin,
> I found L-OPLS in GitHub:
> Can I use it directly for hydrocarbon such as octane?
I have no experience with those parameters. Test them and make sure they
reproduce what's in the paper.
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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