[gmx-users] charmm force field 27
Mu Yuguang (Dr)
YGMu at ntu.edu.sg
Fri Oct 14 04:42:15 CEST 2005
Dear All,
I have uploaded a charmm 27 force field files used in gromacs.
Please check the gromacs web
http://www.gromacs.org/topologies/force_fields.php
In those files there is a readme file containing short instructions and
an example.
I have compared energies with those calculated from CHARMM program for
peptides and nucleic acids. The accuracy is fine.
Dr. Yuguang Mu
Division of Structural and Computational Biology
School of Biological Sciences
Nanyang Technological University
60 Nanyang Drive
Singapore 637551
Tel: 63162885
Fax: 67913856
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