Error while running NPT Simulation

From: Nd S (navdeep79_at_gmail.com)
Date: Thu Oct 16 2008 - 12:44:50 CDT

Hi all

I ran a NPT simulation and the volume of the cell decreased from
1,001,290.4628 to 471,602.1941 and after that the simulation crashed giving
the following error:

WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 65000
WRITING COORDINATES TO DCD FILE AT STEP 65000
WRITING COORDINATES TO RESTART FILE AT STEP 65000
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 65000
FINISHED WRITING RESTART VELOCITIES
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 ran the simulation for 100,000 steps. The unit cells contains only a
derivative of 1-Hexene. Can you please explain me what happened and how I
can correct this.

Thanks a lot,
Navdeep

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