AMBER Archive (2008)

Subject: AMBER: atomic posiltional fluctuation

From: Furia Gargano (furiagargano_at_gmail.com)
Date: Tue Apr 01 2008 - 09:11:12 CDT

Dear Amber Users,

I calculated atomic positional fluctuations of my Molecular Dynamic
Simulation with AMBER 9.0.
I would like to know if the results are the mean of the squared
fluctuations [x²=(ax²+bx²+cx²)/3] or the sum of their components (x² =
ax²+bx²+cx²).
What the equation which is used by the command atomicfluct?

Thank you very much for your attention.

Best wishes,

Furia

Furia Gargano, Msc
LABIO
PPGCC, PPGBCM & IPB - PUCRS | Fax: +55-51-3320-3621
Av. Ipiranga, 6681
Prédio 32 - Sala 602
90619-900 - Bairro Partenon | E-mail:furiagargano_at_gmail.com
Porto Alegre - RS |
Brasil
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