AMBER Archive (2008)

Subject: Re: AMBER: Buckingham potential

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Tue Sep 30 2008 - 09:47:27 CDT

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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