[gmx-developers] Fundamental question: Order of visiting/moving atoms

Raed Khashan rkhashan at uttyler.edu
Fri Jul 10 18:59:42 CEST 2015

Thank you Mark, and Tsjerk!

Do you know if the order of the atoms visited has been investigated for its effect on the simulation? Or, has the quasi-realtime update been tested by others? So I am actually questioning the design principle; has that been investigated by others?


Ra'ed S. Khashan, Ph.D., R.Ph.
Assistant Professor
Department of Pharmaceutical Sciences
Ben and Maytee Fisch College of Pharmacy
The University of Texas at Tyler
3900 University Blvd., Tyler, Texas 75799
TEL: (903) 565-5783
FAX: (903) 565-5598
CELL: (903) 747-7780
EMAIL: rkhashan at uttyler.edu<mailto:rkhashan at uttyler.edu>
WEBSITE: https://www.uttyler.edu/pharmacy/faculty/khashan.php


CONFIDENTIALITY NOTICE: This E-Mail communication (including attachments) is covered by the Electronic Communications  Privacy Act 18, U.S.C 2510-2521, is confidential and/or legally privileged and is protected from disclosure. If you are not the intended recipient, you are hereby notified that any retention, disclosure, dissemination, distribution, copying or use in any way of the contents of this communication is strictly prohibited. Please reply to the sender that you have received this message in error, and then delete it.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20150710/23a94a65/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: image001.png
Type: image/png
Size: 5616 bytes
Desc: image001.png
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20150710/23a94a65/attachment.png>

More information about the gromacs.org_gmx-developers mailing list