[AMBER] Computing interaction energies from trajectory

From: Aravind Ravichandran <raravind.ibab.ac.in>
Date: Tue, 1 May 2018 19:29:32 +0530 (IST)

Dear Amber users,
 I have performed TMD for a protein at conditions A and B, allowing the
protein to go from open to close form at these conditions. TMD has been
performed in explicit solvent conditions.
 Is it possible to get the interaction energies (Coulombic and Van der
Waals Interaction energies)only between 2 domains present in the protein
as one moves towards other during TMD, so as to compare the 2 conditions.

Looking forward to hear your help.

Best Wishes,
Aravind R

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Received on Tue May 01 2018 - 07:00:02 PDT
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