[gmx-users] Block averaging
gmx3 at hotmail.com
Tue Aug 24 09:46:04 CEST 2004
>From: Pedro Alexandre Lapido Loureiro <paloureiro at biof.ufrj.br>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] Block averaging
>Date: Mon, 23 Aug 2004 18:22:37 +0000
>could someone give me a reference on the subject of error estimates using
>I hope it is not Straatsma & Berendsen, Mol Phys 1986, because we are not
>subscribers of this magazine...
The derivation of the block averaging used in g_analyze is given in:
J. Chem. Phys. 116, 209-217 (2002)
I should add this reference to g_analyze or the manual.
The paper is also a chapter of my thesis for which David gave the reference.
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