From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Wed Mar 25 2009 - 16:39:15 CDT
It's used for locally enhanced sampling (LES):
jim_at_lisboa>grep scale *Tuple*
ComputeHomeTuples.h: t.scale = has_les ? invLesFactor : 1;
ComputeSelfTuples.h: t.scale = has_les ? invLesFactor : 1;
Bonded terms that contain enhanced atoms are reduced.
-Jim
On Thu, 26 Mar 2009, Mohamed Seyam wrote:
> Hello,
>
> I was looking through NAMD's source code and I noticed that the k value for
> the potential bond term (U=k*(b-b0)^2) is multiplied by a scale. What is
> the purpose of this scale factor?
>
> Thanks,
>
> -Mohamed Seyam
>
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