[AMBER] PIMD restart error in Amber18

From: jinfeng liu <jinfengliu1119.gmail.com>
Date: Tue, 19 Nov 2019 11:36:35 +0800

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 ?

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Received on Mon Nov 18 2019 - 20:00:02 PST
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