Re: HarmonicWall colvar

From: Jérôme Hénin (
Date: Tue Nov 23 2021 - 09:21:14 CST

Dear Geo,

Once you have defined a distanceXY variable (say it is named "d_xy"), you can use this restraint block:

harmonicWalls {
colvars d_xy
upperWalls 25
forceConstant <k>

Where <k> is the desired value of the force constant. Note that some keywords are plural because they can take a list of values if the restraint is acting on several colvars at the same time.


----- On 22 Nov 21, at 19:25, Ropón-Palacios <> wrote:

> Dear Users,

> I like applie to colvar distancexy an cylinder restraint, but not know as define
> right harmonicWall, please help me.

> My diameter for restraint is 50 (-25,25)

> Best,

> Geo.

> Enviado desde mi iPhone

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