title =  Simulation of imidazole + 1000 H2O NPT - thermalization 
ljname = imdz.txt
outname = imdz
init = yes
coolstep = 150
nmol = 1 1000 
dens = 1.0
temp = 298.15
press = 1.0
accum = no
vstep = 10000
nstep = 5
iprint = 1
isave = 100
irdf = 0
iratio = 10
seed = 65
upbuf = 4
ncores = 2
$end