[gmx-users] md simulation of oil hydrocarbon
vytautas1987 at yahoo.com
Mon Jun 4 14:17:40 CEST 2018
I think you should check as others did ex.: Optimization of the OPLS-AA Force Field for Long Hydrocarbons J. Chem. Theory Comput., 2012, 8 (4), pp 1459–1470
On Monday, May 28, 2018, 8:23:50 PM GMT+3, Atila Petrosian <atila.petrosian at gmail.com> wrote:
I want to do md simulation of oil hydrocarbon?
Is there appropriate force field for these hydrocarbons in gromacs?
What I see in gromacs force fields only was related to aminoacids and
What is your suggestion for md simulation of oil hydrocarbon?
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