Molecular static simulation of Argon gas

Input script

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units metal #What are the units you will use to specify various things in the input file? 

boundary p p p #<Specify periodic boundary condition are needed in all three faces of the simulation box> 

atom_style atomic #<What style of atoms is to be used in the simulation>

log logfile.txt #<Write the log file to this text file. All thermodynamic information is applicable to the entire system>

Molecular dynamics simulation of Argon gas

Input script

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units metal #What are the units you will use to specify various things in the input file?
boundary p p p #Specify periodic boundary condition are needed in all three faces
atom_style atomic #What style of atoms is to be used in the simulation
log logfile.txt #Write the log file to this text file. All thermodynamic information applicable to the entire system
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region forbox block 0 45.8 0 45.8 0 45.8 units box
#Refers to an abstract geometric region of space. units box refers to the fact that the size of the box is specified in the units as given in the units command. The name "forbox" refers to the region ID so that you can refer to it somewhere else in this input script.
create_box 1 forbox #Create the box