Lennard-Jones, 2.5*sigma cut-off, sigma = 1 angstrom, epsilon = 1/k_B
CUTOFF 2.5
UNITS K
NCONFIGS 1
ATOMS 1
LJ core 1.0 0.0
MOLTYPES 1
lj
ATOMS 1 1
LJ core 0.0 0.0 0.0
FINISH
VDW 1 
LJ core LJ core +lj 1.0 1.0
CLOSE