[gmx-users] Running Replica Exchange with Solute Tempering (REST2) with CHARMM36M

[Aram Davtyan]

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 (
https://plumed.github.io/doc-v2.4/user-doc/html/hrex.html) explicitly say
that it will not work with CHARMM cmap. Thus, I was wondering if anyone
knows an alternative method of run REST2 simulations in GROMACS in general
or how to solve the cmap problem mentioned in the instructions.

Thank you in advance,

Aram