| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_energy/gmx_energy/2021.3+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_energy/gmx_energy/2020.4+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_energy/gmx_energy/2020.2+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_energy/gmx_energy/2019.1.5 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_energy/gmx_energy/2019.1.4 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_energy/gmx_energy/2019.1.3 |
| gmx_energy |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| gromacs | 2020.4 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
edr_input: outp.edr terms: ['10', '12', '13'] fmt: xvg |
name: value |
outp.edr value |
| Test-2 |
edr_input: outp.edr terms: ['10', '12', '13'] fmt: tabular |
name: value |
outp.edr value |