Re: Colvars order in the pmf file

From: Marlon Sidore (
Date: Mon Jun 06 2016 - 10:49:01 CDT

Thanks for answering despite the cropping of my previous mail !

If I understand correctly, the order of the variables when selected for abf
in the abf block is in the .grad (and then .grad.pmf) file - whereas the
order of the variables in the .colvars.traj will be the order they are
defined in the configuration file by the colvar blocks.

Reposting the full message that got cropped for good measure:
"I am currently using ABF on 2 collective variables A and B.
In the .in file, the colvars are called with "colvars A B" in the abf block--001a113cea70ec657d05349e0214--

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:22:14 CST