Hi,
I think you meant energy, right? I don't think any cpptraj action
calculates force. Cpptraj uses AKMA units like the rest of Amber, so
energies are in kcal/mol.
Hope this helps,
-Dan
On Thu, Nov 9, 2017 at 8:56 AM, sylvester kisembo <akiikius.yahoo.com> wrote:
> Hi everyone,
> Just curious, in what units does cpptraj calculate van der waals forces?
> Thanks!
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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 Thu Nov 09 2017 - 07:00:02 PST
