[AMBER] Calculating volume of the ligand

From: manikanthan bhavaraju <manikanthanbhavaraju.gmail.com>
Date: Wed, 28 Nov 2012 08:30:15 -0600

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 - 07:00:02 PST
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