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 |