Re: [gmx-users] Uncorrelated configurations

2006-08-14 Thread David van der Spoel

Eudes Fileti wrote:

Dear Gmx Users
I have one trajectory of 800ps. I need extract of
this trajectory, only the uncorrelated (statistically independent)
configurations. So I need know how many ps separates two consecutive
configuratios. Which procedure I can use for this analysis?


what is the definition of correlation in this context?

you don't even say what system it is...



Thanks
eef


__
  Eudes Eterno Fileti
  Centro de Ciência Naturais e Humanas
Universidade Federal do ABC
  Rua Santa Adélia, 166
CEP 09210-170
   skype: eefileti




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--
David.

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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phone:  46 18 471 4205  fax: 46 18 511 755
[EMAIL PROTECTED]   [EMAIL PROTECTED]   http://folding.bmc.uu.se

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[gmx-users] Uncorrelated configurations

2006-08-14 Thread Eudes Fileti
Dear Gmx Users
I have one trajectory of 800ps. I need extract of
this trajectory, only the uncorrelated (statistically independent)
configurations. So I need know how many ps separates two consecutive
configuratios. Which procedure I can use for this analysis?
Thanks
eef
__  Eudes
Eterno Fileti  Centro de Ciência Naturais e HumanasUniversidade
Federal do ABC  Rua
Santa Adélia, 166CEP
09210-170  
skype: eefileti
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