Cpptraj uses the Amber force field, which is given in the Amber 18 manual
(e.g. section 14.1.4) and is described in several other places (even
wikipedia,
https://en.wikipedia.org/wiki/AMBER). I should edit the manual to make this
explicitly clear.
-Dan
On Tue, Jan 29, 2019 at 6:58 AM DHEERAJ CHITARA <rs138.iiita.ac.in> wrote:
> Dear Amber Users,
>
> I performed energy calculation (Bond, Angle, Dihedral, 1-4VDW, 1-4
> electrostatic, van der Waals, Electrostatic, Total energy) for MD
> simulation.
> But I didn't found any mathematical formula of all those calculations in
> AMBER 18 and CPPTRAJ 18 manual.
>
> Can you provide me all these calculation formula which is performed by
> (10.28) energy <https://amber-md.github.io/cpptraj/CPPTRAJ.xhtml> in the
> CPPTRAJ/AMBER18.
>
>
> --
> ----
> Dheeraj Chitara
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Jan 29 2019 - 05:30:02 PST
