Subject: New MOIL release (MOIL9)

From: "Jaroslaw Pillardy" <[email-masked]>
Date: Fri, 9 May 2003 13:59:04 -0400

New MOIL release (MOIL9) http://cbsu.tc.cornell.edu/software/moil

MOIL is a molecular dynamics package that performs energy related
calculations. In addition to the common applications of energy,
minimization, dynamics, and free energy differences of biological
molecules, MOIL has a number of unique features developed in the group
of Ron Elber. Below we highlight a few of them

 - Long time dynamics algorithms - the stochastic difference equation.
Our recent methodology to extend significantly the time scale of
simulations. Serial and parallel code is now available in the sdel
module.

-  Windows 2000 graphic user interface, cmoil graphic display program,
and serial and parallel code for Windows clusters. The current version
includes a graphic interface for Windows 2000 environment, and a
molecular display program cmoil  (Windows 2000 again) .

-  Locally Enhanced Sampling.Moil includes options to perform LES 
(Locally Enhanced Sampling) simulations.

- The new code also includes implementation of the AMBER99 force field
for proteins and DNA (in addition to AMBER/OPLS extended atom
model) and a generalized Born model.

Cheers,

Jarek

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Jaroslaw Pillardy
Cornell University  -  Cornell Theory Center
616 Rhodes Hall, Ithaca, NY  14853
e-mail: [email-masked]  [email-masked]
phone: (607)-254-6333  fax: (607)-254-8888
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