VMD-L Mailing List

From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Wed Jun 20 2018 - 17:37:28 CDT

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