[gmx-users] REMD and MARTINI force field

[Nicolas Floquet]

Hello, i would be interested in trying Replica exchange MD using a 
coarse grained representation of my system (MARTINI force field).
I followed the tutorial of REMD with gromacs and all seemed to be fine ...

However, running REMD at 300K 350K and 400K on my system in a first 
attempt, led to no exchange between replica with classical kT values 
approaching 1000 !!!!!

Repl 1 <-> 2  dE_term =  9.440e+02 (kT)
Repl 1 <-> 2  dE_term =  9.945e+02 (kT)
Repl 1 <-> 2  dE_term =  9.787e+02 (kT)
Repl 1 <-> 2  dE_term =  1.006e+03 (kT)
Repl 1 <-> 2  dE_term =  1.034e+03 (kT)
Repl 1 <-> 2  dE_term =  9.542e+02 (kT)
Repl 1 <-> 2  dE_term =  9.121e+02 (kT)
Repl 1 <-> 2  dE_term =  9.453e+02 (kT)


....

Any idea to help me ??? thank you in advance .

Nicolas