Dear Mani,
Take a look to this plugin, MolSpace (
http://www.fc.up.pt/PortoBioComp/Software/molspace/Home.html), I think that this can make what you pretend to do.
Best regards
Joćo Ribeiro
On Nov 28, 2012, at 8:30 AM, manikanthan bhavaraju <manikanthanbhavaraju.gmail.com> wrote:
> Dear All,
>
> I have performed 10ns of explicit solvent simulations for the
> protein+ligand system using ff12SB and Amber12. Now I am want to know
> the volume occupied by the ligand in the active site as a function of
> time. I have not found a specific command or module in amber which
> can perform the task. Can anybody provide me additional information?
> Is there any external program I can use?
>
>
> Thanks,
> mani
>
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Received on Wed Nov 28 2012 - 08:00:03 PST
