[gmx-users] DNA/RNA records for OPLS force field in GROMACS format.
Andrey V Golovin
golovin at genebee.msu.su
Thu Feb 10 01:21:28 CET 2005
Dear All!
We added RNA/DNA entries to OPLS-AA/L force field.
If you interested please look at :
http://www.gromacs.org/topologies/force_fields.php
Some info about testing and building of the records you can found at:
http://rnp-group.genebee.msu.su/3d/oplsa_ff.html
PLEASE take in account that it is alpha-alpha version. Some additional
testing is needed AND careful compassion with the literature is needed
also.
--
Best regards, Andrey
-----------------------------------------------------------------
Andrey V. Golovin
Ph.D,Professor assistant tel: +7 (095) 939-5305
Bioengineering and
Bioinformatics Department
Moscow State University fax: +7 (095) 939-3181
119899 Moscow E-mail: golovin at genebee.msu.su
Russia web: http://rnp-group.genebee.msu.su
-----------------------------------------------------------------
More information about the gromacs.org_gmx-users
mailing list