Mercurial > repos > chemteam > mmpbsa_mmgbsa
comparison test-data/LigA_output.txt @ 0:52e64e8cf203 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit a68f9fb01e0cfff122aef8ddce5c866c687a4f9a"
| author | chemteam |
|---|---|
| date | Fri, 28 Feb 2020 03:47:30 -0500 |
| parents | |
| children |
comparison
equal
deleted
inserted
replaced
| -1:000000000000 | 0:52e64e8cf203 |
|---|---|
| 1 Remark line goes here | |
| 2 MASS | |
| 3 | |
| 4 BOND | |
| 5 | |
| 6 ANGLE | |
| 7 | |
| 8 DIHE | |
| 9 | |
| 10 IMPROPER | |
| 11 c2-ha-c2-ha 1.1 180.0 2.0 Using the default value | |
| 12 c2-c2-c2-os 1.1 180.0 2.0 Using the default value | |
| 13 c2-o -c2-o 1.1 180.0 2.0 Using the default value | |
| 14 c2-c3-c2-ha 1.1 180.0 2.0 Using the default value | |
| 15 c2-c2-c2-c2 1.1 180.0 2.0 Using the default value | |
| 16 c2-c2-c2-ha 1.1 180.0 2.0 Using the default value | |
| 17 | |
| 18 NONBON | |
| 19 | |
| 20 | |
| 21 |