Definitions of certain routine names in source

From: Bennion, Brian (
Date: Wed Feb 03 2010 - 17:01:52 CST


I have been searching through the NAMD2.7b2 source code learning as much as I can but I have stumbled on a few of the routines. Specifically in Sequencer.C there are calls made to collectPositions and collectVelocities as well as "submitreduction" calls. I think the collections calls probably refer to gathering the respective info from all the patches before integration begins, but that is a best guess. I am clueless to what the reduction calls are really doing.

Are there people out there who could explain the exact functions of these calls to me (offline if more convenient).

Thank you

Brian Bennion
Biosciences and Biotechnology Division
Lawrence Livermore National Laboratory
7000 East Ave Livermore California 94550

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