memory noverify heap 1 mb stack 32 mb global 8 mb

start ethanol_md

prepare
 system ethanol_test
 free
 modify segment 1 final self
 new_top new_seq
end

task prepare

md
 system ethanol_md
 step 0.001 equil 0 data 1000
 cutoff 1.2 
 leapfrog
 isotherm 298.16 trelax 0.1 0.1 
 isobar 1.025e5 trelax 0.4 compress 4.53e-10 
 print step 10 stat 100 extra topol
 update pairs 1 center 1 long 1 rdf 0
 record rest 0
 record prop 0 sync 0
 record coord 0 scoor 0
 record veloc 0 svelo 0
 load pairs
# test 10        #This is for testing only, not for general users.
end

task md dynamics
