VMD-L Mailing List
From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Wed Jun 20 2018 - 18:07:50 CDT
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Great, thank you for that link!
Kelly L. McGuire
PhD Scholar
Department of Physiology and Developmental Biology
Brigham Young University
LSB 3050
Provo, UT 84602
________________________________
From: João Ribeiro <jribeiro_at_ks.uiuc.edu>
Sent: Wednesday, June 20, 2018 4:56:49 PM
To: McGuire, Kelly
Cc: Vmd l
Subject: Re: vmd-l: QwikMD Restraints Question
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<mailto: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<mailto:jribeiro_at_ks.uiuc.edu> +1 (217) 3005851
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