! This is the input file for a short GCMC simulation of CH4 in Silicalite at 300.0 K.

# Run_Name
co2_pillar.out
!--------------

# Sim_Type
gcmc
!---------------

# Nbr_Species
2
!----------------

# VDW_Style
lj cut_tail 15.0
!----------------
# Charg_Style
coul ewald 15.0 1E-5
!--------------------

# Mixing_Rule
lb
!-------------------

# Seed_Info
86722316473 59009854321
!-------------------

# Rcutoff_Low
1.0
!----------------

# Pair_Energy
true
!-----------

# Molecule_Files
pillar.mcf 1
co2.mcf 1000
!------------------------

# Box_Info
1
cubic
30.0 30.0 30.0
!-------------------------

# Temperature_Info
77
!------------------

# Chemical_Potential_Info
-55.00
!------------------------

# Move_Probability_Info

# Prob_Translation
0.3
0.0 2.0

# Prob_Rotation
0.3
0.0 180

# Prob_Insertion
0.3
none cbmc

# Prob_Deletion
0.3

# Done_Probability_Info
!----------------------

# Start_Type
add_to_config 1 0 pillar.xyz 0 30
!------------------

# Run_Type
equilibration   100000
!------------------

# Simulation_Length_Info
units        steps
prop_freq    1000
coord_freq   10000
run          10000
!----------------------------

# Property_Info 1 
energy_total
nmols
Pressure
!----------------

# Fragment_Files
species2/frag1/frag1.dat  1
!---------------------------------------------------------one line per fragment

# CBMC_Info
kappa_ins 12
rcut_cbmc 6.5
END