[gmx-users] NVT Equilibration

[Alex Jemulin]

Dear all
I'm studying a membrane protein. I've run equilibration with the follwing parameters - reference temperature =323k
integrator = md  ; leap-frog integrator
nsteps  = 50000  ; 2 * 50000 = 100 ps
dt      = 0.002  ; 2 fs
tcoupl  = V-rescale             ; modified Berendsen thermostat
The system converged quickly to the reference value (after 2-3ps).
Should it converge more slowly and gradually? In the case how could fix it?
Thanks
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