I believe mmpbsa with per-residue breakdown would help with this:
http://ambermd.org/tutorials/advanced/tutorial3/
On 21 June 2013 13:31, Ravi Tripathi <abhi.rt8687.gmail.com> wrote:
> Dear Amber members :
> I want to quantify the hydrophobic interaction present between the drug and
> protein during the simulation. How to calculate it? Is there any script to
> quantify those interaction.
>
> Thanks in advance
>
> --
> Abhi
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Received on Mon Jun 24 2013 - 12:00:03 PDT
