Am Donnerstag, 23. März 2006 11:05 schrieb xueping:
> Dear all...
>
> What is the difference between
With
> analyze mode fluct
you can calculate rms fluctuations from normal modes (or principal
components). This requires to having done a normal mode analysis or principal
component analysis in a previous step.
With
> atomicfluct
you can calculate atomic fluctations directly from a trajectory. Note that you
need to rms fit the snapshots beforehand.
> Is atomicfluct same as RMS Fluctuation?
Yes, it is.
Best regards
Holger
>
> Thank you very much.
> Regards,
> xueping
>
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--
++++++++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
Juniorprofessur fuer Molekulare Bioinformatik
J.W. Goethe-Universitaet
Fachbereich Biowissenschaften
Institut für Zellbiologie und Neurowissenschaft
Max-von-Laue-Str. 9
60438 Frankfurt/Main
Germany
Tel.: (+49) 69-798-29411; Fax: (+49) 69-798-29527
Email: gohlke.bioinformatik.uni-frankfurt.de
URL: http://www.uni-frankfurt.de/~hgohlke
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Received on Sun Mar 26 2006 - 06:10:15 PST
