AMBER Archive (2008)

Subject: AMBER: Improper dihedral parameters

From: Chih-Ying Lin (chihying_at_usc.edu)
Date: Tue May 06 2008 - 14:00:36 CDT

Hi

>From GROMOS
IMPROPER DIHEDRAL
#define gi_1 0.0 167.42309
planar group 40

TO AMBER
IMPROPER
ca-ca-ca-ne 40.05 180.0 2.0

167.42309kJ/mol=40.05 kcal/mol
Could anyone tell me if the two set of the force field parameters are the same?

Thanks
Lin

     

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