AMBER Archive (2000)

Subject: Additional Water Potentials

From: Garrett W Grahek (ggrahek_at_vr.clemson.edu)
Date: Wed Nov 29 2000 - 16:20:33 CST

Hello again,
I would like to use TIP4P or TIP5P water potentials with the Amber 6.0
program. We need the most accurate solvent model for our work, and
the TIP4P and TIP5P are slightly more accurate models than TIP3P. I
would appreciate any information regarding parameters developed for
these models and how to add them to the xleap parameter set, how well
these models interact with the amber forcefield and amino acid
parameterization, and any other comments on their use with Amber.
Thanks in advance and fortuitous computing.

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Garrett W Grahek
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Dept. of Bioengineering
501 Rhodes Research Center
Clemson University
Clemson , SC 29624
voice #864.656.1352
fax #864.656.1822
email: ggrahek_at_clemson.edu
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