[gmx-users] RB parameters for the OPLSAA force field.

Elie M elie.moujaes at hotmail.co.uk
Wed Oct 10 02:21:42 CEST 2012

Dear all,
Does anyone know where I can find reference of how to calculate the RB parameters (C0-C5) for proper dihedrals? I have got some undefined dihedrals in my top file and I am not sure where to start. What kind of information do i need to calculate those parameters? any package that does that?



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