1parameters          ../params/oplsua
2verbose
3lights
4
5spacegroup          P21
6a-axis              40.96
7b-axis              18.65
8c-axis              22.52
9beta                90.77
10
11dielectric          1.0
12vdw-cutoff          3.0
13charge-cutoff       3.0
14
15rattle
16rattle              water
17neutral-groups
18