Mercurial > repos > chemteam > mmpbsa_mmgbsa

view test-data/LigA_output.txt @ 7:84c85e65027c draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7583aecdb001e76ca6ddf440f60de4c534f61c66"
author chemteam
date Mon, 20 Sep 2021 09:48:41 +0000
parents 52e64e8cf203
children
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MASS

BOND

ANGLE

DIHE

IMPROPER
c2-ha-c2-ha         1.1          180.0         2.0          Using the default value
c2-c2-c2-os         1.1          180.0         2.0          Using the default value
c2-o -c2-o          1.1          180.0         2.0          Using the default value
c2-c3-c2-ha         1.1          180.0         2.0          Using the default value
c2-c2-c2-c2         1.1          180.0         2.0          Using the default value
c2-c2-c2-ha         1.1          180.0         2.0          Using the default value

NONBON