Re: [AMBER] Using with CHARMM force field

From: Jason Swails <>
Date: Fri, 21 Aug 2015 13:42:17 -0400

On Fri, Aug 21, 2015 at 11:47 AM, Ara Abramyan <>

> Thank you for the answers.
> We did run the MMGBSA calculation using the CHARMM gbsw method which gave
> us reasonable results.
> Since we are not aware of any CHARMM modules that can do per-residue energy
> decomposition and incorporate entropy, we want to use to do this.
> Just to note, we are running using minimized pdb files from
> CHARMM MMGBSA calculations. Could the minimization also be done using
> package?

‚ÄčNo. does not minimize.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Fri Aug 21 2015 - 11:00:06 PDT
Custom Search