Re: How to implement an additional interaction potential?

From: Vincent Kraeutler (vincent_at_kraeutler.net)
Date: Thu Aug 23 2007 - 07:53:05 CDT

this thread might be of some interest:

http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/6275.html

cheers,
v.

Philipp Schön wrote:
> dear namd users,
> i would like to add an additional interaction potential of lennard-jones type.
> currently i am looking into the routines
>
> ComputeNonbondedUtil.*
> LJTable.*
> Parameter.*
> and GromacsTopFile.*
>
> can anyone help me on this subject? do i need to consider other files as well.
>
> cheers
> philipp
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