Can anubody provide a mathematical expression to relate the array of atom type intex, and the ACOEF or BCOEF in parmtop file of amber for a particular system. This is to calculate the van ver waals interaction between a particular pars of atoms through my own fortran code. I have tried to find it in the amber code but I have lost.
Thanks in advance.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Feb 13 2009 - 01:22:21 PST
