[gmx-users] Latest CHARMM36 + CGenFF 3.0.1 files
Justin Lemkul
jalemkul at vt.edu
Tue Apr 21 17:01:48 CEST 2015
Hi All,
We have updated our CHARMM36 force field files in concert with the new release
of the CHARMM general force field (CGenFF). Please find the latest files on our
website:
http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs
Since the November 2014 release, the changes to the files include:
1. Added glycolipid and glycoprotein parameters
2. Latest CGenFF version (3.0.1) to match the version now present on paramchem.org
For the details of what the newest version of CGenFF includes, please see
http://mackerell.umaryland.edu/~kenno/cgenff/download.shtml#latest
Happy simulating!
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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