Re: [AMBER] non bonded parameteters index

From: Adrian Roitberg <roitberg.qtp.ufl.edu>
Date: Thu, 12 Feb 2009 16:15:33 -0800

look at the format of the parmtop file in the manual.
It should be described there.


Swarup Gupta wrote:
>
> 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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-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
                             Quantum Theory Project
                            Department of Chemistry
                  Senior Editor. Journal of Physical Chemistry
                           American Chemical Society
University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian.qtp.ufl.edu
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Received on Fri Feb 13 2009 - 01:22:24 PST
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