[gmx-users] OPLS Implimentation in GROMACS

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Wed Jun 15 09:53:49 CEST 2005

What is the reason that the "improper dihedrals" in the OPLS forcefield
are applied using improper dihedrals (dihedral type 2) in GROMACS rather
than Ryckaert-Bellemans (dihedral type 3)?

Catch ya,

Dr. Dallas Warren
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9073
When the only tool you own is a hammer, every problem begins to resemble
a nail.

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