[gmx-users] How to speed up equilibrating the density of bulk system?
lloyd.riggs at gmx.ch
Tue Jul 17 16:46:45 CEST 2012
A variabvle thermostat that increases from 180 K to 300 K over cycles of 100-10000
-------- Original-Nachricht --------
> Datum: Tue, 17 Jul 2012 20:40:12 +0800
> Von: Wu Chaofu <xiaowu759 at gmail.com>
> An: gmx-users at gromacs.org
> Betreff: [gmx-users] How to speed up equilibrating the density of bulk system?
> Dear gmxers,
> I am trying to generate one polymer melt from one big enough box using
> NPT MD in gmx. I find that the density of system varies very slow.
> Could you please give me some hints about how to speed up this
> process? Thanks a lot for any reply.
> Yours sincerely,
> Chaofu Wu.
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