You can use plumed, as long as you are scaling all of your protein (as
you would be with REST2). You just need to post-process the output of
the plumed partial_tempering script:
https://groups.google.com/d/msg/plumed-users/lo-Sb8aUepY/X54UEB-tAgAJ
Hello dear users,
I am trying to figure out how to run Replica Exchange with Solute Tempering
(REST2) simulation using CHARMM 36m force filed. The only method that I
found so far involves using Plumed (which would have worked for me).
However, the instructions I found (
Hello,
I am trying to figure out how to run Replica Exchange with Solute Tempering
(REST2) simulation using CHARMM 36m force filed. The only method that I
found so far involves using Plumed (which would have worked for me).
However, the instructions I found (
