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filename=NVT.in
# Production of trajectory. NVT
&cntrl imin=0, ntx=7, irest=1, ntrx=1, ntpr=5000,
ntwx=5000,ntwr=5000,
ntf=2, ntb=1, cut=10.0,
nsnb=10,
nstlim=500000, nscm=5000,
t=0.0, dt=0.002, temp0=298.16, tempi=298.16, ig=555333,
ntt=1, dtemp=0.0, tautp=0.2,
ntc=2,
jfastw=0,
&end
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Received on Mon Mar 03 2014 - 08:30:06 PST
