[gmx-users] OPLS Implimentation in GROMACS

[Dallas B. Warren]

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
Lecturer
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
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When the only tool you own is a hammer, every problem begins to resemble
a nail.