[gmx-users] water in bulk

[Jennifer Vo]

Dear Mark,
Thanks a lot for the idea. I'll try.
Regards,
Jennifer

On Wed, Jun 17, 2015 at 3:54 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> No, but you can use e.g. gmx select to describe a geometric criterion that
> you regard as equivalent to "dissolve into bulk." If it finds atoms that
> satisfy, then that's your answer.
>
> Mark
>
> On Wed, Jun 17, 2015 at 2:44 PM Jennifer Vo <quyviolet at gmail.com> wrote:
>
> > Dear All,
> > Does Gromacs have a tool to calculate how many water molecules dissolve
> > into the bulk of an organic solvent (let's say, 5 Angstrom from protein
> > surface in the box)?
> > Many thanks in advance.
> > Regards,
> > Jennifer
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