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
