margin value

From: M. Madhu (madhu7_at_hotmail.com)
Date: Tue Jun 12 2007 - 08:58:11 CDT

Hi NAMD users,

During my TMD simulation (NPT) in a lipid bilayer, I get the following fatal error.
================================
FATAL ERROR: Bad global exclusion count!

FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Bad global exclusion count!

FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html
================================

However, It works without any warning If use a margin value greater than 50.
I tried with margin 50 and margin100. According to NAMD user's guide margin
parameter will not change the physical results of the simulation. But the final
energies obtained with margin 50 and 100 are different.

Cany anyone tell me what exactly this parameter is doing in the simulation?
How this parameter retains the physical results with different margin values,
though the final energies are different?
Whether a large margin value (eg: 50) causes any adverse effects in the simulation.

Thanks,
Madhu

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