[gmx-developers] ridged aromatics

[Ken Rotondi]

Hi all,

I was wondering if when GROMACS derives ridged aromatic atoms from 
basis atoms, it includes the derivatives (dE/dxj) (dxj/dij) where j is 
the dependent atom, and if so, where this is stored.

We may take a shot at debugging this code.

Thanks,

Ken

K.S. Rotondi Ph.D.
Research Fellow
The Gierasch Laboratory
Department of Biochemistry and Molecular Biology
University of Massachusetts-Amherst
Phone: 413-545-1250
Fax;      413-545-3291