From: Prabhakar Bhimalapuram (prabhakar.bhimalapuram_at_gmail.com)
Date: Thu Apr 28 2016 - 12:23:36 CDT
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.
---- 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]. Best, Jerome
This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:20:22 CST