Re: tabulated potentials?

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Feb 13 2007 - 19:23:31 CST

This isn't currently available in released versions of NAMD; however, we
do currently have a development version that can make use of tabulated
energies and forces. If you're interested in giving this a try please
email me off list and I can send you instructions.
Peter

Nicolas Bock wrote:
> Hello NAMD list,
>
> I would like to run an MD on a monatomic metallic liquid. I have the
> tabulated pair potential, V(r), and its first and second derivative.
> Looking through the NAMD manual, I couldn't figure out however how to
> use such a potential in NAMD. Could someone help me out, please?
>
> Thanks, nick
>

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