| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2022+galaxy2 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2022+galaxy1 (this tool) |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2022+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2021.3+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2020.4+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2020.2+galaxy1 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2020.2+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2019.1.5 |
| toolshed.g2.bx.psu.edu/repos/chemteam/gmx_trj/gmx_trj/2019.1.4 |
| gmx_trj |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| gromacs | 2022 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
trj|trj_input: ['npt.xtc', 'nvt.xtc'] trj|cat: True trj|trj_op: trjcat time|b: 0 time|e: -1 time|dt: 0 |
name: value |
npt.xtc nvt.xtc value |
| Test-2 |
trj|trj_input: npt.xtc trj|str_input: npt.tpr trj|ndx_input: index.ndx trj|index_output: 1 trj|index_center: 1 trj|pbc|pbc: mol trj|ur: tric time|b: 0 time|e: -1 time|dt: 0 |
name: value |
npt.xtc npt.tpr index.ndx value |
| Test-3 |
trj|trj_input: npt.xtc trj|str_input: npt.tpr trj|ndx_input: index.ndx trj|index_output: 0 trj|sep: sep output_format: pdb time|b: 0 time|e: -1 time|dt: 0 |
npt.xtc npt.tpr index.ndx |