Mercurial > repos > chemteam > acpype_amber2gromacs

comparison test-data/LigA_output.txt @ 0:79c856227ff1 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f6acbf6f5875904c5b0c69445da0bf44932611c6"
author chemteam
date Tue, 30 Nov 2021 10:00:44 +0000
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1 Remark line goes here
2 MASS
3
4 BOND
5
6 ANGLE
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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
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