yutinghuang01 at g.harvard.edu
Thu Sep 13 22:34:39 CEST 2018
How do I unsubscribe? :)
On Thu, Sep 13, 2018 at 10:45 AM, Alex <alexanderwien2k at gmail.com> wrote:
> Dear all,
> I wonder how tau-p/tau-t can affect on simulation and how it should be
> chosen wisely according to the system of study?
> Also, the performance of GMX-2018.2 is around 10 ns/day for NVT/NpT
> equilibration of a system while the performance increases to around 18
> ns/day for the NVT production simulation of the same system. Do you think
> the only reason for the difference is that I use dt = 0.001 for
> but dt = 0.002 for the production? or something else might also play role?
> Thank you.
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