1log log.decane-oplsaa
2units real
3atom_style full
4pair_style lj/cut/coul/cut 15.0
5bond_style harmonic
6angle_style harmonic
7dihedral_style opls
8
9read_data decane-oplsaa.data
10
11thermo_style multi
12minimize 0.0 0.0 100 1000
13
14write_data decane-oplsaa.data2
15