Mercurial > repos > chemteam > acpype_amber2gromacs
comparison test-data/LigA_output.txt @ 0:79c856227ff1 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f6acbf6f5875904c5b0c69445da0bf44932611c6"
author | chemteam |
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date | Tue, 30 Nov 2021 10:00:44 +0000 |
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-1:000000000000 | 0:79c856227ff1 |
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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 |