From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Mon Jun 06 2016 - 11:18:51 CDT
Hi Marlon,
That is correct.
Jerome
On 6 June 2016 at 17:49, Marlon Sidore <marlon.sidore_at_gmail.com> 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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