Mercurial > repos > chemteam > ambertools_parmchk2

annotate test-data/LigA_output.txt @ 0:e69259eb42f0 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
author chemteam
date Thu, 13 Jun 2019 03:51:10 -0400
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
1 Remark line goes here
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
2 MASS
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
3
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
4 BOND
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
5
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
6 ANGLE
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
7
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
8 DIHE
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
9
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
10 IMPROPER
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
11 c2-ha-c2-ha 1.1 180.0 2.0 Using the default value
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
12 c2-c2-c2-os 1.1 180.0 2.0 Using the default value
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
13 c2-o -c2-o 1.1 180.0 2.0 Using the default value
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
14 c2-c3-c2-ha 1.1 180.0 2.0 Using the default value
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
15 c2-c2-c2-c2 1.1 180.0 2.0 Using the default value
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
16 c2-c2-c2-ha 1.1 180.0 2.0 Using the default value
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
17
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
18 NONBON
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
19
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
20
e69259eb42f0 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 30f274b0c065dc842ca4e04aa34879443de60bcc
chemteam
parents:
diff changeset
21