Re: water models supported in NAMD

From: Philip Peartree (p.peartree_at_postgrad.manchester.ac.uk)
Date: Wed Feb 06 2008 - 12:33:19 CST

I would imagine that would be a forcefield problem, so I guess you'd have to ask either the charmm guys (alex mckerell et al) or the AMBER guys, although I'm not sure.

Mr Philip Peartree MSc AMRSC
Computational Enzymology
University of Manchester

----- Original Message -----
From: "L. Michel Espinoza-Fonseca" <mef_at_ddt.biochem.umn.edu>
To: "NAMD list" <namd-l_at_ks.uiuc.edu>
Sent: Wednesday, February 6, 2008 4:26:09 PM GMT +00:00 GMT Britain, Ireland, Portugal
Subject: namd-l: water models supported in NAMD

Hi people,

I know this question has been posted before. I wonder if you guys who
are involved in the development of NAMD are planning to include (in
the near future) a feature to support other water models, such as
TIP4P or TIP4P-Ew.

Thanks!
Michel

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