From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Wed Jun 14 2017 - 07:23:30 CDT
That is not implemented, however as far as I know the "orientation"
component (and its derived quantities) can provide the same information in
a more robust way.
On 14 June 2017 at 13:28, Stefano Guglielmo <stefano.guglielmo_at_unito.it>
> Dear NAMD users,
> is there a way to specify the main axis of inertia of a molecule as a
> collective variable to be used in biasing methods with NAMD colvars module?
> Thanks in advance
> Stefano GUGLIELMO PhD
> Assistant Professor of Medicinal Chemistry
> Department of Drug Science and Technology
> Via P. Giuria 9
> 10125 Turin, ITALY
> ph. +39 (0)11 6707678
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