Re: Steering colvars to defined points in space

From: Aron Broom (
Date: Sun Jan 26 2014 - 19:23:56 CST

You can't redefine those maps to be relative?

If not, I believe you can use dummy atoms in the colvars, and a dummy atom
can be defined to have (x,y,z) coordinates. I've not actually done it, so
can't help beyond that, but I think the user guide gives pretty good

On Sun, Jan 26, 2014 at 7:10 PM, Tristan Croll <>wrote:

> Hi all,
> I'm currently trying to fit some cryoelectron tomography maps. The
> resolution is low enough to be very ambiguous, but there are a number of
> points which can be assigned with relative confidence (e.g. hinge points
> between domains). I'd like to steer the relevant portions of the structure
> into these spots, but as far as I can tell the colvars functionality only
> allows steering into relative rather than absolute coordinates. Is there a
> simple way to do this?
> Thanks,
> Tristan

Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo

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