Coarse-Grained fatal error!

From: Fugui (theoreticalchem_at_163.com)
Date: Thu May 02 2013 - 07:49:20 CDT

Hi everybody,
I was running a coarse grained MD, and it stoped after 537200 steps, and the error is:

ERROR: Margin is too small for 3 atoms during timestep 537309.

ERROR: Incorrect nonbonded forces and energies may be calculated!

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.

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.

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.

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.

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.

So it means i need to increase the size of the box, is it right?

BW

Fugui

 

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