| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/chemteam/packmol/packmol/18.169.1 (this tool) |
| toolshed.g2.bx.psu.edu/repos/chemteam/packmol/packmol/18.169 |
| packmol |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| packmol | 18.169 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
packmol_inputs_0|input: water.pdb |
attributes: name attributes: name |
water.pdb name |
| Test-2 |
packmol_inputs_0|structureparams|constraints_repeat_0|constraints|zmax: 40.0 packmol_inputs_1|structureparams|constraints_repeat_0|constraints|constraint: box packmol_inputs_0|structureparams|constraints_repeat_0|constraints|ymax: 40.0 packmol_inputs_0|structureparams|constraints_repeat_0|constraints|constraint: box packmol_inputs_0|input: water.pdb packmol_inputs_0|structureparams|number: 1000 packmol_inputs_1|structureparams|constraints_repeat_0|constraints|zmax: 40.0 packmol_inputs_1|input: urea.pdb packmol_inputs_0|structureparams|constraints_repeat_0|constraints|xmax: 40.0 packmol_inputs_1|structureparams|constraints_repeat_0|constraints|xmax: 40.0 packmol_inputs_1|structureparams|constraints_repeat_0|constraints|ymax: 40.0 packmol_inputs_1|structureparams|number: 400 |
attributes: name attributes: name |
water.pdb urea.pdb name |