[gmx-users] md simulation of oil hydrocarbon / L-OPLS
jalemkul at vt.edu
Tue May 29 20:34:12 CEST 2018
On 5/29/18 2:30 PM, Atila Petrosian wrote:
> I found a paper entitled " Optimization of the OPLS-AA Force Field for Long
> Hydrocarbons " (https://pubs.acs.org/doi/abs/10.1021/ct200908r). They
> obtained L-OPLS force field.
> Which version of gromacs has L-OPLS force field?
None, you'll have to create/modify force field files.
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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