Dear Users
I want to create the coordinate of all atoms ( x,y,z) in equilibrium state by write_data command. what should be added to thermo_style in order to show the coordinates of all atoms in the equilibrium conditions? i want to use these data as input file for next calculations.
Thanks
Dear Users
I want to create the coordinate of all atoms ( x,y,z) in equilibrium state
by write_data command. what should be added to thermo_style in order to show
the coordinates of all atoms in the equilibrium conditions? i want to use
these data as input file for next calculations.
please grab a text book on MD and read up on how to determine (or
rather guess) whether a simulation has reached equilibrium.