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

[Raed Khashan]

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



_________________________
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

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