I would like to know how IMP deals with MC & Replica Exchange
temperatures. In the doc it appears normalized (1.0, 2.5, 5.0). Is there
a way to know its value in Kelvin?
IMP's MC temperature has no units. Sure, if your scores are actually
energies (e.g. in kcal/mol) then you could assign an MC temperature in
Kelvin, but this is usually not the case - scores in IMP generally have
no units either.
Ben
--
https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle