[AMBER-Developers] commit codes for Thole model in sander

From: Jun Wang <jwang20.uci.edu>
Date: Mon, 23 Feb 2009 10:13:02 -0800 (PST)

Hi, all,

  We have committed the codes for Thole model, an polarizable
electrostatic model, in sander. Now, the parameter IPOL has three new
options: 2 for exponential Thole model as in AMOEBA, 3 for another
exponential Thole model and 4 for linear Thole model. All the tests have
been run.

Enjoy it!

Jun Wang, Ph.D.
Dept Molecular Biology & Biochemistry
University of California, Irvine, CA 92697
Phone: (949) 824-9562
Email: jwang20.uci.edu

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Received on Wed Feb 25 2009 - 01:11:54 PST
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