<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear all<br>I'm studying a membrane protein. I've run equilibration with the follwing parameters - reference temperature =323k<br>integrator = md ; leap-frog integrator<br>nsteps = 50000 ; 2 * 50000 = 100 ps<br>dt = 0.002 ; 2 fs<br>tcoupl = V-rescale ; modified Berendsen thermostat</div><div>The system converged quickly to the reference value (after 2-3ps).<br>Should it converge more slowly and gradually? In the case how could fix it?</div><div>Thanks</div></div></body></html>