[gmx-users] fattyn acid parameter in OPLSAA forcefield

Mark Abraham mark.j.abraham at gmail.com
Mon Jun 3 09:39:29 CEST 2013

Please email just gmx-users, not the owner or request addresses :-)

On Sun, Jun 2, 2013 at 9:37 PM, fatemeh ramezani <fr_750 at yahoo.com> wrote:

>  Hi all
> I want to simulate protein-fatty acid-AU complexs by OPLSAA force field.
> But OPLSAA force field, hasn't any parameter for fatty acid. Can I use
> CHARMM fatty acid parameters in OPLSAA force field?

No. See http://www.gromacs.org/Documentation/How-tos/Parametrization

> Anyone has better suggestion?

Read widely on similar efforts. Be prepared for a lengthy parameterization
process if nobody has done this kind of system before.


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