Implement GAFF/AM1-BCC residue template generator for simtk.openmm.app.ForceField#164

Merged

jchodera merged 21 commits intochoderalab:masterfrom jchodera:gaff-plugin

Jan 27, 2016

+9,356-153

Commits on Jan 11, 2016

Commits on Jan 14, 2016

Fix syntax error.
jchodera
committed

Commits on Jan 15, 2016

Commits on Jan 19, 2016

Test implementation of Topology -> OEMol conversion. Doesn't handle all cases yet.
jchodera
committed
Merge remote-tracking branch 'upstream/master' into gaff-plugin
jchodera
committed
Merge branch 'gaff-plugin' of github.com:jchodera/openmoltools into gaff-plugin
jchodera
committed

Commits on Jan 22, 2016

Commits on Jan 23, 2016

More edits to tests. Not intended to work yet.
jchodera
committed

Commits on Jan 26, 2016

Fixed issues with tests and use of bondtype from ambermini. Tests pass locally.
jchodera
committed

Commits on Jan 27, 2016