Hi AMBER community!
I'm interested in running temperature-based replica exchange for a soluble
protein of ~140,000 atoms in a periodic box with explicit solvent.
I'm having trouble determining the number of replicas and the corresponding
temperature distribution. Are there any resources/protocols that you have
found helpful for determining the temperature distribution?
Furthermore, how does one know that a given temperature distribution is a
good one?
Thanks in advance!
Jason
--
Jason Wang
Stanford University, Class of 2018
jwang198.stanford.edu
ᐧ
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 21 2018 - 16:30:02 PDT
