view test-data/LigA_output.txt @ 14:8a839e6a1e3e draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
author chemteam
date Thu, 27 Jan 2022 17:16:26 +0000
parents c01897428864
children
line wrap: on
line source

Remark line goes here
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