VMD-L Mailing List

From: Arturas Ziemys (ziemys_at_chbmeng.ohio-state.edu)
Date: Fri May 11 2007 - 11:52:49 CDT

Hi,

Does anybody know some routines/algorithms to make particle distance evaluation and/or selection faster than "brute-force" way recalculating those distances directly (using PBC)? One could use some things like KDTrees, but it is useless with PBC.

Any clues would be welcome :) !

Best
Arturas Z.