Hi Gül,
You are absolutely correct! I just checked this with tau_t=10, and it
brought back the old behavior! Thank you so much for your suggestion!
Probabilities with tau_t=10, NH thermostat:
Repl 0 1 2 3 4 5 6 7 8 9 10 11 12
13 14 15 16 17 18
Hi Pritam,
Did you check your energy fluctuations? Looks like you are using NH
thermostat, you might be suffering from the interaction of NH thermostat
oscillations with resonance modes in the system, which makes energy
fluctuations substantially larger (compared to fluctuations with NH in
older
Hello,
I have noticed that the average exchange probability for a replica
exchange run increases significantly if I use Gromacs versions 2018, as
compared to versions 2016 or earlier. I have tested that by simulating
the same system with versions 2016.4 and 2018.3 and the average
