Error applying PME to simulation set up

From: Sourav Ray (
Date: Wed May 13 2015 - 04:24:41 CDT


I tried running a helical protein structure equilibriated in water and
ionized to 0.1 mol/L with NaCl. However, I encountered an 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."

while applying PME electrostatics whereas setting a dielectric value to say
15 is working fine.

Can anyone here provide certain insight into this issue?


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