[AMBER] Energy Calculation Mathematical Formula.

From: DHEERAJ CHITARA <rs138.iiita.ac.in>
Date: Tue, 29 Jan 2019 17:27:32 +0530

Dear Amber Users,

I performed energy calculation (Bond, Angle, Dihedral, 1-4VDW, 1-4
electrostatic, van der Waals, Electrostatic, Total energy) for MD
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

Dheeraj Chitara
AMBER mailing list
Received on Tue Jan 29 2019 - 04:00:02 PST
Custom Search