Re: 1-4 interactions scaling

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Oct 05 2005 - 22:15:36 CDT

Mauricio,
actually, 1-4 scaling is applied to vdW interactions by default (1-2 and
1-3 interactions will be excluded, and 1-4 interactions scaled according
to whatever you have in the parameter file). Please see the exclude
command under
http://www.ks.uiuc.edu/Research/namd/current/ug/node25.html for details
on how this works.

Peter

Mauricio Carrillo Tripp wrote:

>
> Hi all,
>
> is there a way to scale the 1-4 interactions other than the
> electrostatic (VdW for example) ?
> Does anyone have done this? Shouldn't be that hard to implement in the
> code, is it?
>
> --
>
> Mauricio Carrillo Tripp, PhD
> Department of Chemistry
> Wabash College
> trippm_at_wabash.edu <mailto:trippm_at_wabash.edu>
> http://trippm.bajacast.com/

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