Re: Average structure using colvars

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Thu Mar 21 2019 - 09:36:12 CDT

Hi,

This doesn't sound like something the Colvars module does. This could be
done by an external tool, or even scripted in Tcl.

Best,
Jerome

On Wed, 20 Mar 2019 at 21:43, Deepti Karandur <dkarandur_at_gmail.com> wrote:

> Hi
>
> I'm exploring using the strings method on a protein while using RMSD to to
> differentiate images, with the newer versions of NAMD (2.12 and above) i.e.
> using the colvars module to apply restraints. I was wondering if there is a
> way to calculate the average structure from a set of structures with the
> colvars module?
>
> Thanks,
> Deepti
>
>

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