Dear Amber developers,
Recently I performed normal mode pimd simulation using Amber18.
However, when I tried to restart the pimd from the previous step, the
temperature of the system always went up very high, and can not be
controlled by the nose-hoover chain thermostat (ntt = 4). Can anyone
explain that, and how can I avoid that ?
Best,
Jinfeng
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 18 2019 - 20:00:02 PST
