On Fri, Aug 31, 2018, David Sáez 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
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Received on Mon Sep 03 2018 - 05:00:02 PDT
