[gmx-users] External Force and Box Size

Archana S Achalere archana at chemeng.iisc.ernet.in
Tue Mar 9 09:43:58 CET 2010


  Hi all,

  I am simulating lipid + water system. I am appling  external force 
on both the species in the system.

After few 100 thousands of time steps the simulation gets terminated and 
it gives me an error message:
"The Z-size of the box (2.000094) times the triclinic skew factor 
(1.000000) is smaller than the number of DD cells (2) times the smallest 
allowed cell size (1.000000)"

Can anyone please help me in resolving  this error.

I am using the following options:

coulombtype              = PME
vdw-type                 = Cut-off
  Time constant (ps), compressibility (1/bar) and reference P (bar)
tau_p                    = 1.0 1.0
compressibility          = 4.5e-5 4.5e-5
ref_p                    = 1.0 1.0

Thank you.

-archana.

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