[AMBER] PARAMFIT

From: David Ricardo Figueroa Blanco <dr.figueroa10.uniandes.edu.co>
Date: Mon, 23 Sep 2019 15:28:15 +0000

Hi.

I am trying to generate new force field parameters for two force fields (AMBER and CHARMM) but I would like to know if it is possible to perform the process with a topology file that contains CHARMM parameters with paramfit. Is it possible to change the function to evaluate energy, for example to CHARMM equation?

Thank you for your time and consideration.
Best Regards.
David


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 23 2019 - 08:30:02 PDT
Custom Search