Re: How to create repulsive particle ?

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Nov 21 2006 - 15:13:40 CST

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Hi Arturas,
as far as I know this is not possible without editing the NAMD energy
function (found in ComputeNonbondedBase2.h), although hopefully future
versions will make this easier.
Peter

Arturas Ziemys wrote:
> Hi,
>
> I am searching ways to introduce the particle which has only repulsive force and the repulsion is applied to some set or types of atoms: the rest atoms are "transparent" to the repulsive forces of that particle.
>
> Is there any way to implement that without Tcl forces in NAMD ?
>
> References to some similar implementations would be welcome.
>
> Best
> Arturas
>
>
>

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