[gmx-users] Amber OPLS dihedral conversion to GROMACS RB

DaJustice1 at aol.com DaJustice1 at aol.com
Wed Aug 6 14:23:01 CEST 2003

Dear GMX Users,
I am attempting to convert Amber OPLS dihedral parameters to GMX RB 
parameters, but I’m having some trouble.   I have searched through the archives and 
found replies about the same problem.   The replies state that the conversion is 
described in the GMX Users manual.   I have read the force field section 
covering dihedral conversion to RB, but I still am not sure how to proceed.   Amber 
OPLS has multiple definitions for dihedrals using different PN, but GMX only 
has one line containing the six RB parameters C 0-5.   If someone in the list 
has experience with these conversions, please enlighten me.

Thank you,

David Justice
Gogonea Computational Chem. Group    
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