From: Souvik Sinha (souvik.sinha893_at_gmail.com)
Date: Fri Apr 07 2017 - 03:47:11 CDT
I am trying to set up an ABF calculation with "alpha" as RC. But there I
get this error which tells me system force calculation is not available in
colvar componenet "alpha". But to run ABF, force on the colvar needs to be
In a previous thread in NAMD Mailing-list
I found that turning on *extendedLagrangian * formalism is a possible way.
But there was one disclaimer that "this is still considered a bit
So, I am confused that whether I should use it or not unless I get to know
the risk. So, can anyone enlighten me in this regard?
One more thing I need to add, is it ok if I use "alpha" as RC in Umbrella
sampling or Metadynamics using colvar module?
-- Souvik Sinha Research Fellow Bioinformatics Centre (SGD LAB) Bose Institute Contact: 033 25693275
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