From: Edward Patrick Obrien (edobrien_at_Glue.umd.edu)
Date: Mon Dec 06 2004 - 17:44:43 CST
Deaj Pijush,
What do you mean by identical conditions? Do you start these 3
simulations from the same exact configuration? Do you use the same random
number, or vary it?
This info is needed to answer your questions.
Ed
On Mon, 6 Dec 2004, Pijush Ghosh wrote:
> NAMD Friends,
> I have a question.
>
> When we run simulations(optimisation or MD) for any
> system under identical condition three times, we end up with results
> which are not exactly same but
> vary within a range, which we denote by error bar in the plot. My
> question is inspite of everything remaining same, what could be the
> possible reasons giving rise to
> these differences in results? Is it because of computation error ? or
> anywhere in calculation in NAMD any other parameters involved which
> causes so.
>
> Any suggestions and references highly appreciated.
>
> Pijush Ghosh.
>
>
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