[gmx-users] re: RB dihedral potential query in OPLS

chris.neale at utoronto.ca chris.neale at utoronto.ca
Tue Sep 12 19:44:42 CEST 2006

Those OPLS-AA "Ryckaert Bellemans" terms are intended to work with [ pairs ]. 
They are not the same as the real RB terms. Here is a good explaination:


"The original Ryckaert Bellemans
potential is for carbon tails only (e.g. decane, or lipids). The same
potential is used in OPLS but with different parameters in which the
(scaled) pair interaction is part of the parameterization."

My appologies for leading you astray earlier, I thought you were refering to RB 
terms in lipid tails.


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