[gmx-users] fattyn acid parameter in OPLSAA forcefield

[Mark Abraham]

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.

Mark