OPLS-AAM

Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files

CHARMM formatted OPLS-AA/M parameter files are obtained from Jorgensen Group Page http://zarbi.chem.yale.edu/oplsaam.html
processCharmmForceField.py is a modified version of the one available from OpenMM/devtools, modified with the help of Dr. John Chodera and Dr. Peter Eastman

Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
OPLS-AAM-Parameterization.pdf		OPLS-AAM-Parameterization.pdf
README.md		README.md
input.pdb		input.pdb
log		log
opls-aam.xml		opls-aam.xml
par_opls_aam.inp.txt		par_opls_aam.inp.txt
processCharmmForceField.py		processCharmmForceField.py
simulatePdb.py		simulatePdb.py
tip3p.xml		tip3p.xml
top_opls_aam.inp.txt		top_opls_aam.inp.txt

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