From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Fri Jan 08 2010 - 05:52:52 CST
Dear all,
For those of you who expressed interest in the implementation of the
Random Acceleration Molecular Dynamics method in NAMD 2.6 or NAMD 2.7,
we are now able to release our version number 4.0. This newest version
fixes all the bugs I reported with the previous unreleased versions that
I sent to people that asked me for the scripts. The released version was
tested with both NAMD 2.6 and 2.7 and includes example runs.
All the information and the scripts can be found on our web page
dedicated to the RAMD implementations.
http://projects.villa-bosch.de/mcm/software/ramd/
Please do read carefully the entire documentation (which is not too
long) and run the provided examples before running production runs.
Do not hesitate to contact us in case you have questions for which you
do not find the answer in the provided documentation.
Best wishes
Vlad
-- ---------------------------------------------------------------------------- Dr. Vlad Cojocaru EML Research gGmbH Schloss-Wolfsbrunnenweg 33 69118 Heidelberg Tel: ++49-6221-533202 Fax: ++49-6221-533298 e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de http://projects.villa-bosch.de/mcm/people/cojocaru/ ---------------------------------------------------------------------------- EML Research gGmbH Amtgericht Mannheim / HRB 337446 Managing Partner: Dr. h.c. Klaus Tschira Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter http://www.eml-r.org ----------------------------------------------------------------------------
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