AMBER Archive (2008)

Subject: Re: AMBER: Buckingham potential

From: Diddo Diddens (d.diddens_at_uni-muenster.de)
Date: Tue Sep 30 2008 - 10:01:57 CDT

Hi,

I'd like to use a custom forcefield from a paper (should be possible in
AMBER?) where the non bonded interaction parameters are fitted for Buckingham
potential.

Thanks for your help

Andreas Svrcek-Seiler schrieb am 2008-09-30:
> Hi,
> >I'm interested in purchasing an AMBER license, but I'd prefer using
> >the
> >Buckingham potential instead of vdW. Can this potential be
> >incorporated in
> >AMBER?
> ...easily, if you are not shy of modifying the source code.
> The hard cumbersome part might be to get the parameters "right".
> But why would you want to do this? (the answer is none of my
> business,
> but I'd like to know it nonetheless).

> good luck
> Andreas

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