Hi,
I plan to run a REMD for a protein in explicit water. The temperature is 300k-500k and there are 40 replicas.
I wander that are only the "ref-t" option in the equi_*.mdp files different when equilibration stage ? what about gen-temp option. should I make the gen-temp equal to ref-t (i.e. ref-t=gen-temp=500K)?
Best regards,
Ouyang