| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2019.1.5 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2019.1.4 (this tool) |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2019.1.3 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2019.1.2 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2019.1.1 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2019.1 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2018.2 |
| gmx_setup |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| gromacs | 2019.1 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
water: spce pdb_input: 1AKI.pdb ff: oplsaa ignore_h: False |
attributes: name attributes: name attributes: name |
1AKI.pdb name |