Control file for CO2 in zeolite
use gaspressure
finish use-block
steps 1000000
temperature 273.0
maxmolrot 0.005
equilibration 100000
print 1000
acceptmolmoveupdate 200
acceptmolrotupdate 200
stack 100
move molecule 1 20
co2
move rotatemol 1 20
co2
move gcinsertmol 1 60 0.5
co2 0.0001
start simulation