Margin Value in NAMD

From: Andrea Holfelder (
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?

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:24:22 CST