principal axes in colvars

From: Stefano Guglielmo (stefano.guglielmo_at_unito.it)
Date: Wed Jun 14 2017 - 06:28:44 CDT

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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
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