Re: accessing values of 'extendedLagrangian' fictious degree of freedom

From: Prabhakar Bhimalapuram (
Date: Thu Apr 28 2016 - 12:23:36 CDT

Hi Jerome,

Thank you for the pointer; I landed at the "github:colvars" documentation
and saw that instead of "tclForces" I can use the scriptedColvarForces and
tcl proc calc_colvar_forces to do this! I have not done any testing, but a
small sample run seems to be doing what I wanted.

Thank you,


Hi Prabhakar,
If you enable extendedLagrangian and access the value of the collective
variable through Tcl, what you get *is* the fictitious degree of freedom,
not the "actual" value of the geometric function. In the colvars trajectory
file, you get both values. A trick if you need both values from Tcl would
be to parse the output of [cv printframe].

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