[gmx-developers] Solvation Implicit

Berk Hess hess at cbr.su.se
Thu Jul 30 13:26:23 CEST 2009


Mark Abraham wrote:
>
>
> On 07/30/09, *Luis Paulo * <luis.scott at ufabc.edu.br> wrote:
>>
>>     Hi,
>>
>>
>>     How do I do to calculate a MD with implict solvation in the Gromacs ?
>>
> You received an accurate answer last time you posted this question.
> Please don't re-post.
>
> Mark
I guess the intention was to ask the developers.
But in that case it would have been useful to quote the answer posted on
the gmx-users list.

You can get the implicit solvent model by checking out a development
version of Gromacs with git.
But since there is currently no documentation yet, such a version is
probably of little use.
So it is best to wait for the 4.1 release, which should hopefully not
take too long.

Berk




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