Error : components of colvar "alpha" does not support system force calculation

From: Souvik Sinha (
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
calculated beforehand.

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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