[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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