As a start, check the 'energy', 'esander', and 'pairwise' commands in
the cpptraj section of the Amber16 manual.
-Dan
On Wed, Oct 26, 2016 at 2:27 PM, Aishani Prem <aishaniprem.gmail.com> wrote:
> Hi All,
> I ran MD calculations on a set of protein mutants in generalized born
> model. I want to know if there is any way I can calculate the van der waals
> and electrostactic energy using cpptraj?
>
> --
> Thank You and Regards,
> Aishani Chittoor Prem
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--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Oct 26 2016 - 12:00:02 PDT
