[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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