David E. Shaw. A fast, scalable method for the parallel evaluation of distance-limited pairwise particle interactions, Journal of Computational Chemistry (2005)26(13)1318–1328

Abstract

The original article to which this erratum refers was published in Journal of Computational ChemistryJ Comput Chem (2005)26(13)1318.

It has come to our attention that in the online and published version of the above article several errors occurred. The first instances occured on page 1325, in Table 2. On page 1326, the equation at the end of item two was displayed incorrectly. The corrected versions of all the items listed above follow. We would like to extend our sincere apologies for any confusion these errors may have caused.

Table 2. Time Required to Import Atomic Coordinate Data.

Method	Number of Processors
	64	512	4K	32K
Unit of measurement is the amount of time required to import one atom. Assumptions: 50,000 atoms, interaction radius = 12 Å, density = 0.1 atom/Å^3.
HS	3126	1389	787	552
NT	2339	686	211	68
SH	5469	1758	317	81
SNT	2722	771	226	71

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