# mos input file 

# switches: ========================================================

# EN                    - perform energy calculation
# MD                    - perform MD
# MC                    - perform MC 
# GCMD                  - perform GCMD     

 GCMC                  - perform GCMC   

 lrc                   - add long range correction to LJ pot

# shift                 - shift potential so that ELJ(cutoff) = 0
# NHT                   - use Nose Hoover thermostat

# parameters: =======================================================

seed             175661  - seed for random number generator
nsites              178  - number of atoms in the initial config file
totnsteps       5000000  - total number of MD or MC steps 
eqnsteps        2000000  - number of equilibration steps
printvl           10000  - nterval (in steps) for printing out thermodyn. data
box         2.03405 2.03405 2.03405 - box dimensions (Lx Ly Lz) [nm]
temperature     108.389  - temperature [K]
mass             39.948  - mass [amu]
cutoff           0.85125 - cutoff radius [nm]
epsilon           0.998  - LJ-parameter [kJ/mol]
sigma            0.3405  - LJ-parameter [nm]
BA                 2.47  - Adams chem. pot. parameter
maxdisp             0.1  - maximum particle displacement in MC
