Mercurial > repos > chemteam > parmconv

comparison test-data/LigA_output.txt @ 0:6c6cecf51bd0 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3664d8011044773cc3250ce15d712d97b0b91373"
author chemteam
date Tue, 07 Apr 2020 08:07:39 -0400
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-1:000000000000 0:6c6cecf51bd0
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
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21