AMBER Archive (2009)

Subject: [AMBER] non bonded parameteters index

From: Swarup Gupta (swarupgupta_at_yahoo.com)
Date: Thu Feb 12 2009 - 18:07:46 CST

 
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.

 
 

      
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