VMD-L Mailing List

From: João Ribeiro (jribeiro_at_ks.uiuc.edu)
Date: Wed Jun 20 2018 - 17:56:49 CDT

Hi Kelly,

QwikMD has an extense User's Guide at
http://www.ks.uiuc.edu/Research/vmd/plugins/qwikmd/ and there is a direct
link this page on QwikMD's webpage as well (
http://www.ks.uiuc.edu/Research/qwikmd/). You can find almost all
information related to the commands and functions of QwikMD there.

Your question is answered at
http://www.ks.uiuc.edu/Research/vmd/plugins/qwikmd/#advprot. Those
restraints are to harmonic restraints to the coordinates of the atoms
defined by the atom selections.

I hope this helps

Best

João

On Wed, Jun 20, 2018 at 5:38 PM McGuire, Kelly <mcg05004_at_byui.edu> 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
http://www.ks.uiuc.edu/~jribeiro/
jribeiro_at_ks.uiuc.edu
+1 (217) 3005851