Re: information about simulation speed

From: Kshatresh Dutta Dubey (kshatresh_at_gmail.com)
Date: Tue Dec 02 2014 - 17:04:31 CST

Yes, but I found like :

WallClock: 569.721008 CPUTime: 569.721008 Memory: 128.992188 MB,

Can we get information in simulation time like ns/day or ps/day?

On Wed, Dec 3, 2014 at 12:53 AM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Tue, Dec 2, 2014 at 5:50 PM, Kshatresh Dutta Dubey
> <kshatresh_at_gmail.com> wrote:
> > Dear User,
> >
> > Is there any way to get the information about the simulation speed in
> namd?
> > I know some package like amber prints the speed of simulation in mdout.
>
> have you looked at the NAMD output???
>
> >
> > Regards
> > Kshatresh
> >
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>

-- 
With best regards
************************************************************************************************
Kshatresh Dutta Dubey
Post Doctoral Researcher,
Lise Meitner Center for Computational Quantum Chemistry
Hebrew University of Jerusalem Israel
Jerusalem, Israel

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