On 7/2/21 6:37 AM, Andrea Graziadei wrote:
I am modeling a multistate system in PMI using CrossLinkingMassSpectrometryRestraint in imp-2.15, and trying to adapt imp-sampcon for the purpose.
...
After running replica exchange, i am trying to extract distances for my crosslinks (in theory 2 per protein copy, one in state 0 and one in state 1).
If I'm understanding your setup correctly, each crosslink need only be satisfied by one of the two states, so you would only get one distance.
Ben
--
https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle