From: Maxim Paliy (mpaliy_at_wlu.ca)
Date: Mon Apr 07 2008 - 14:36:09 CDT
Dear NAMD experts.
in my constant pressure simulations I run into problem of box shrinking
unexpectedly fast and producing 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.
I have FlexibleCell disabled, and use PMEGridSpacing to tell the number
of PME cells..
Is there any way to circumvent the problem without restarting the
simulation several times?
and what other parameters might affect this behavior?
(in particular, what precisely does the margin parameter do?)
Thanks a lot in advance,
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