Re: Colvars order in the pmf file

From: Giacomo Fiorin (
Date: Mon Jun 06 2016 - 09:57:38 CDT

Hello Marlon, when you select two variables for ABF or metadynamics, the
first one you select will be the outer loop of the corresponding pmf grid.
I.e, colvars B A will make the outer loop on B even though A was defined
first in the configuration file.
On Jun 6, 2016 10:16 AM, "Marlon Sidore" <> wrote:

> Hi,
> 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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