From: João Ribeiro (
Date: Wed Jun 20 2018 - 17:56:49 CDT

Hi Kelly,

QwikMD has an extense User's Guide at and there is a direct
link this page on QwikMD's webpage as well ( You can find almost all
information related to the commands and functions of QwikMD there.

Your question is answered at Those
restraints are to harmonic restraints to the coordinates of the atoms
defined by the atom selections.

I hope this helps



On Wed, Jun 20, 2018 at 5:38 PM McGuire, Kelly <> wrote:

> QwikMD offers the ability to select pre-defined restraints. Some of them
> are obvious, but is there a description
> somewhere of what those pre-defined restraints selections are? For
> example, the pre-defined protein selection, is
> that the center-of-mass of the protein? I am needing to apply a restraint
> to the center of mass of my protein, and I know
> this can be done with coding/colvars, but hoping QwikMD has that as a
> pre-defined selection. Thanks!
> *Kelly L. McGuire*
> *PhD Scholar*
> *Department of Physiology and Developmental Biology*
> *Brigham Young University*
> *LSB 3050*
> *Provo, UT 84602*

João Vieira Ribeiro
Theoretical and Computational Biophysics Group
Beckman Institute, University of Illinois
+1 (217) 3005851