AMBER Archive (2008)

Subject: AMBER: parameters of nonbonded potentials

From: Alexander Klenner (klenner_at_bioinformatik.uni-frankfurt.de)
Date: Tue Feb 19 2008 - 04:43:27 CST

Hello,

I am trying to implemt the General Amber Forcefield (Gaff) using the
equation given in Junmei et al 2003. I already found all the parameters
for bonds, angles and dihedrals in the gaff.dat of the antechamber archiv.

My question is, wether the paramters Aij Bij qi qj have to be
calculated for every pair of atoms or if there is a possibility to read
them from a parameter file and if so where can I find them?

Thank your for your answers!

Alex Klenner
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