1parameters ../params/charmm22 2#verbose 3 4a-axis 34.9374 5b-axis 34.9374 6c-axis 69.8561 7 8rattle 9neighbor-list 10 11vdw-cutoff 9.0 12ewald 13ewald-cutoff 7.0 14pme-grid 36 36 72 15