AMBER Archive (2007)

Subject: Re: AMBER: (no subject)

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Aug 02 2007 - 07:48:36 CDT

take the simulated time and divide by the total time that your simulation took.
if you want something else then you need to be more specific about what
you want to calculate and what data you have.

On 8/2/07, Syed Tarique Moin <tarisyed_at_yahoo.com> wrote:
> Hello,
>
> Yeah! but i want to know how to manipulate these in graphical representation
> as ps/day.
>
> Kindly guide me
>
> gurpreet singh <gps.iitm_at_gmail.com> wrote:
> Hi Moin
>
> There is nothing to calculate , check the output file properly.
>
>
> Gurpreet
> INDIA
>
>
> On 8/2/07, Syed Tarique Moin <tarisyed_at_yahoo.com> wrote:
> > Hello,
> >
> > I want to calculate the time of md simulation using my
> > cluster system and represent it with the help of
> > graph. ps/day.
> >
> > Any can suggest how can it be possible using amber 7.
> >
> > Regards
> >
> > Syed Tarique Moin,
> > Junior Research Fellow,
> > H.E.J. Research Institute of Chemistry,
> > International Center for Chemical and Biological Sciences,
> > University of Karachi, Karachi-75720, Pakistan
> >
> > tarisyed_at_yahoo.com
> > tarisyed_at_hotmail.com
> >
> >
> >
> >
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>
>
>
> Syed Tarique Moin,
> Junior Research Fellow,
> H.E.J. Research Institute of Chemistry,
> International Center for Chemical and Biological Sciences,
> University of Karachi, Karachi-75720, Pakistan
>
> tarisyed_at_yahoo.com
> tarisyed_at_hotmail.com
>
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