error

From: jbp087_at_gmail.com
Date: Tue Mar 02 2010 - 23:48:53 CST

Hello,

Currently i am trying to do membrane protein dyanamics

While doing NPT simulation, i am getting following error after some MD run.

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 also tried keeping "useFlexibleCell = yes", but it is also showing
error after some MD run.

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.

For NPT simulation i have kept protein backbone fixed and "fixedAtomsForces
= no".

Please anybody can help me regarding this error.

Thanking you in anticipation.

JIGNESH PATEL
MS(Pharm.) in Pharmacoinformatics,
Center for Pharmacoinformatics,
NIPER, MOHALI,
Punjab, India.

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