From: JAVAD NOROOZI (noroozijavad_at_yahoo.com)
Date: Thu Jan 08 2015 - 03:23:12 CST
Hi all,
I have devided an elongated box (z=180, x=y=45 and 4000 water molecule) into 20 slabs along the z axis to measure temperature profile in an NVT run.The temperature should be equal at each slabs (linear profile), but i see a large fluctuation from slab to slab. I tried to use different langevin damping coeff and more water molecules, but no improvement.
Any idea?
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