[gmx-users] Free energy in implicit solvent

Nizar Masbukhin nizar.fkub08 at gmail.com
Fri Oct 31 04:53:57 CET 2014


even using PLUMED plugin?

On Wed, Oct 29, 2014 at 1:59 PM, David van der Spoel <spoel at xray.bmc.uu.se>
wrote:

> On 2014-10-29 01:05, Nizar Masbukhin wrote:
>
>> Dear gromacs users,
>> Is it possible to calculate free energy in implicit solvent in gromacs?
>>
>>  It is not possible at all.
>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
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-- 
Thanks
My Best Regards, Nizar
Medical Faculty of Brawijaya University


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