[gmx-users] Molecular volume

[David Mobley]

I think in 3.3, there was a new option added to g_sas that allows you
to calculate the solvent accessible volume, which may be what you
want. Try searching the list.

David


On 11/6/06, Mohan Boggara <mohanbabu.boggara at gmail.com> wrote:
> Dear users,
> Is there a way to calculate molecular volume of small solutes that we use in
> simulations?
>
> Mohan
>
> --
> Mohan Boggara
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> Dept of Chemical Engineering
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