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input_bin
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-1 Random number seed
1 0 to start randomly, 1 to read initial configuration
0 0 if starting new simulation, 1 if continuing (wipes data files or appends to them,respectively)
0 Give new velocities
100000 Number of MD Steps
0000 Number of Equilibration Steps
1 Interval at which data is calculated
2000 Interval at which data is averaged and written
2000 Interval at which coordinates are written
100000 Interval at which checkpoint file is made
15.0 Box length in x direction
15.0 Box length in y direction
60.0 Box length in z direction (should be longer than the others)
2295 Number of LJ particles
1 Number of LJ particle types
1 Number of cells per cutoff distance
0.80 Target temperature at bottom wall
0.80 target temperature at top wall
8.0 Thermostat height (at bottom wall)
0.0005 Time step (in LJ units)
1 Has walls in Z-direction (1 = yes, 0 = no)
1.0 slab width
10 number of insertions per step in each slab
-20.0 minimum possible insertion energy in the histogram (e.g. minimum energy in fcc lattice)
30.0 maximum possible insertion energy (at what point do we consider the boltzmann factor a zero and move on)
0.01 insertion energy histogram bin width
0.1 characteristic time for thermostat at lower region
0.1 characteristic time for thermostat at upper region (deprecated)
0.005 Pinning force
6.0 Pin height (maximum extent of pinning force)
1.0 Wall strength (lower wall only, same for all particles)
2.5 Wall cutoff (lower wall only)
2000 How many steps between zeroing out z-momentum near wall