[gmx-users] Parameters for Gromos 53A5, 53A6

[Alessandra Villa]

>
> Dear list,
>
> Do the parameters for the newly parametrised potentials 53A5, 53A6
> exist in Gromacs format?
> (See J. Comp. Chem. 25 1656-1676, 2004 for details).
> If not, I would appreciate the help of anyone who has these
> parameters working with Gromos to convert and test them. I don't
> currently have a Gromos installation.
>
> Thanks
>
> Dave Evans
> London School of Pharmacy
>
>

Dear Dave Evans

Yes, the parameters for the newly parametrised potentials 53A5, 53A6
exists in the gromacs format.
I will put it in a couple of days on the
gromacs web-page under Topologies/force fields

Best regards

Alessandra Villa

************************************************************
Dr. Alessandra Villa 
J.W. Goethe University
Institute for Physical and Theoretical Chemistry
Marie Curie Str. 11
60439 Frankfurt am Main
Germany

E-mail:  villa at theochem.uni-frankfurt.de
Tel: +49-(0)69-798-29711 
Fax: +49-(0)69-798-29709
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