AMBER Archive (2009)
Subject: Re: [AMBER] non bonded parameteters index

From: Alessandro Nascimento (al.s.nascimento_at_gmail.com)
Date: Thu Feb 12 2009 - 18:14:44 CST

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This file helped me a lot to do the same task

http://ambermd.org/Questions/vdwequation.pdf

hth,

cheers,

--alessandro

On Thu, Feb 12, 2009 at 10:07 PM, Swarup Gupta <swarupgupta_at_yahoo.com> 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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-- [ ]s

--alessandro

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Previous message: Swarup Gupta: "[AMBER] non bonded parameteters index"
In reply to: Swarup Gupta: "[AMBER] non bonded parameteters index"
Next in thread: Adrian Roitberg: "Re: [AMBER] non bonded parameteters index"
Next in thread: Gustavo Seabra: "Re: [AMBER] Optimization problem"
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