FATAL ERROR: Periodic cell has become too small for original patch grid!

From: Seth Lilavivat (sethl_at_gatech.edu)
Date: Wed Mar 26 2008 - 15:36:48 CDT

Dear Namd Users,

I know this is a common problem but after scanning the archives, I still
could not find a satisfactory answer or figure out why my simulation crashes
and gives me the following error:

FATAL ERROR: Periodic cell has become too small for original patch grid!
Possible solutions are to restart from a recent checkpoint,
increase margin, or disable useFlexibleCell for liquid simulation.

This happens when I switch from NVT to NPT. Generally I heat in NVT then
switch to NPT for equilibration. Temperature, Kinetic, RMSD, Pressure do not
look out of the ordinary to me. What is the most common explanation for this
particular error? What should I look for to correct it? Your help is
greatly appreciated.

Thanks,
Seth

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