Mercurial > repos > chemteam > gmx_merge_topology_files
comparison test-data/posre_cl.itp @ 4:19d4b07e7ca7 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit a71d03531d57b87b5e3ce40ee7d974fbe53a1dfa"
| author | chemteam |
|---|---|
| date | Wed, 20 Nov 2019 11:15:35 -0500 |
| parents | |
| children | ced8ec975548 |
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| 3:7445eb668895 | 4:19d4b07e7ca7 |
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| 1 ; position restraints for CL of LYSOZYME in water | |
| 2 | |
| 3 [ position_restraints ] | |
| 4 ; i funct fcx fcy fcz | |
| 5 38369 1 500 600 700 | |
| 6 38370 1 500 600 700 | |
| 7 38371 1 500 600 700 | |
| 8 38372 1 500 600 700 | |
| 9 38373 1 500 600 700 | |
| 10 38374 1 500 600 700 | |
| 11 38375 1 500 600 700 | |
| 12 38376 1 500 600 700 |