Re: [AMBER] Distance HH TIP3P

From: David A Case <david.case.rutgers.edu>
Date: Mon, 3 Sep 2018 07:47:40 -0400

On Fri, Aug 31, 2018, David Sez wrote:

> Hi everyone, regarding the parameters for TIP3P water, the file in
> amber16/dat/leap/parm/frcmod.tip3p
> specifies a HW-HW distance of 1.5136 angstroms,
> while Gromacs and Charmm parameter files the same distance is 1.5139.
> Is there a reason for this difference?

Looks like this goes back in Amber to at least the early 90's, and hence
the origin is lost to the mists of history.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Sep 03 2018 - 05:00:02 PDT
Custom Search