Re: Colvars Boundary potentials do not look harmonic

From: Panel Nicolas (M.) (
Date: Thu Jun 04 2015 - 08:08:49 CDT

Hi Jerome, Hi Jeff,

My mistake, I got a bit confused between force and energy terms... but it's clear now.
Thank you very much for your help.


----- Mail original -----
De: "Jeff Comer" <>
À: "NAMD list" <>, "Jérôme Hénin" <>
Cc: "Panel Nicolas (M.)" <>
Envoyé: Mercredi 3 Juin 2015 18:54:28
Objet: Re: namd-l: Colvars Boundary potentials do not look harmonic

Harmonic means:
F = –k(x–x0)
E = k(x-x0)^2/2

Jeffrey Comer, PhD
Assistant Professor
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
Phone: 785-532-6311

On Wed, Jun 3, 2015 at 10:15 AM, Jérôme Hénin <> wrote:
> Hi Nicolas,
>> but the force printed in the output seems to be only the difference
>> between the chi1 and the reference
>> multiplied by the force constant. So this potential is not harmonic but
>> linear.
> Nope, that is precisely what you'd expect from a harmonic potential.
> Best,
> Jerome

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