Re: multiple harmonic constrains

From: Jeff Comer (
Date: Sat Nov 08 2014 - 14:54:50 CST

I recommend looking into the Colvars module available in NAMD:

With it you can add an arbitrary number of harmonic restraints on many
different coordinates.


On 11/8/14, Azadeh Alavi <> wrote:
> Dear all,
> I would like to constrain 2 selections of atoms in my system, one group in
> 3 dimensions and the other only in z- direction. However, it is not
> possible to include multiple constraints in a configurations file.
> Your help would be greatly appreciated.
> Regards,
> Azadeh

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

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