On Wed, 2014-05-28 at 21:27 +0800, Nitin Sharma wrote:
> Dear amber users,
>
> Is there any command to check non bonded interactions like vander
> waal's interactions between ligand and selected residues?
You can see if MMPBSA.py's decomposition options or the "pairwise"
command in cpptraj will do what you want. These are all described in
the Amber 14 manual.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed May 28 2014 - 07:00:02 PDT
