GROMACS version: 2024
Dear community members,
I am trying to explore REST method for solute tempering at varying temperatures. I am not fully sure how to execute this method in my work. Therefor, I have few questions, as given below:
(1) What are the additional parameters in NVT, NPT and production run mdp files. (It would be a great help if someone shows me the snapshot of mdp files used in this method)
(2) Is PLUMED needed to be used to execute this method? Or simply I can use REMD method with change in solute temperature and execute it?
(3) how will the temperature switching among replicas would happen?