AMBER Archive (2008)

Subject: Re: AMBER: vdw 6-9 potential

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Fri Aug 22 2008 - 16:02:48 CDT

you need to tell us more- are you good at programming and want to know
which routine to start making changes? or are you asking if there is a
way without writing new code?

On Fri, Aug 22, 2008 at 4:56 PM, <fatima.chami_at_durham.ac.uk> wrote:
> Dear all,
>
> I came accross the vdw 6-9 terms potential for the non bonded interaction
> which was parametrized recently for some Si contained molecules
>
> how can I implement this in Amber
>
>
> any feedback
>
> best wishes
> Fatima
>
>
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-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
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Stony Brook University E-mail: carlos.simmerling_at_gmail.com
Stony Brook, NY 11794-5115 Web: http://comp.chem.sunysb.edu
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