Margin Value in NAMD

From: Andrea Holfelder (andreaholfelder_at_gmx.com)
Date: Wed Aug 31 2011 - 21:42:05 CDT

I am not sure the importance of Margin value while running a PBC simulation.

 My cell basis vectors are around 100 for each of x y z and when I keep margin =2.5 the simulation runs quite welll but when I remove the margin from the config file ,I get an error after some time into the simulation which says something like "the grid patch has become too small etc. etc. "

 What role is the Margin playing here?
 What does Margin do?

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