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temperature      300.00
pressure         0.0001
ensemble npt berendsen   1.0000  1.0000

steps            100000
equilibration     20000
multiple step         1
scale                10
print                10
stack               100
stats                10
trajectory            0    1000       0
rdf                  10

timestep         0.0050
primary cutoff   5.000
cutoff           5.000
delr width       1.000
rvdw cutoff      5.000
no electrostatics
shake tolerance  1.0E-5
quaternion tolerance  1.0E-5
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4Â¥: Originally posted by paladinlee at 2010-10-14 09:38:52
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