Re: CCL:statistical error in simulations

["Dr. Eric P. Wallis" <epw %-% at %-% ppco.com>]

 At 06:31 PM 11/24/95 +0100, you wrote:
 >Hello everybody!
 >
 >just a question,
 >I'm looking for references about calculation of errors in quantities
 >like RDF, running integration numbers,... obtained by means of MD/MC
 >simulations. Can anyone help me?
 >
 I break up the trajectory into 5 smaller trajectories and calculate the
 RDF's and number of first solvation shell neighbors for each of the smaller
 trajectories.  Using these 5 subsets, you can calculate the deviation or
 error.  This method is similar to the standard way of calculating the error
 in the averages obtained from and MD or MC simulation.
 Hope this helps
 Best regards,
 Eric
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 * Eric P. Wallis, Ph.D                                            *
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