From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Fri Apr 29 2016 - 04:37:36 CDT
Absolutely. scriptedColvarForces is to collective coordinates what
tclForces is to atomic coordinates. This is a recent feature, I hope it is
useful to you.
On 28 April 2016 at 19:23, Prabhakar Bhimalapuram <
> 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
> 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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