Re: Variation of results in iterations

From: Edward Patrick Obrien (
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.

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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