[AMBER] Explicit understanding the force computed from U(CMAP) term

From: Lod King <lodking407.gmail.com>
Date: Thu, 5 Sep 2019 15:34:34 -0700

Hi Amber

How to explicitly understand the force computed from U(CMAP) energy term. I
have been reading the papers "Mackerell, Feig, and Brooks Vol. 25, No. 11
Journal of Computational Chemistry" and "Martin Karplus 1995 Journal of
Computational Chemistry", and still having difficulty understanding the
math applied here.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 05 2019 - 16:00:02 PDT