parameters        ../params/amber99
verbose
neighbor-list
tau-temperature                 1.0
tau-pressure                    2.0
a-axis                        54.99
b-axis                        41.91
c-axis                        41.91
vdw-cutoff                      9.0
ewald
ewald-cutoff                    7.0
pme-grid                   60 45 45
pme-order                         5
