Re: Colvars order in the pmf file

From: Jérôme Hénin (
Date: Mon Jun 06 2016 - 11:18:51 CDT

Hi Marlon,

That is correct.


On 6 June 2016 at 17:49, Marlon Sidore <> wrote:

> 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

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