Mercurial > repos > chemteam > ambertools_acpype

comparison test-data/LigA_output.txt @ 0:2e202f6c3034 draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1620d2eb7fd3ea43bb4dfe6cee5b45015fd13a3
author chemteam
date Thu, 13 Jun 2019 06:16:34 -0400
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-1:000000000000 0:2e202f6c3034
1 Remark line goes here
2 MASS
3
4 BOND
5
6 ANGLE
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8 DIHE
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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
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