reran some parameterization on my laptop

shirtsgroup · Sep 26, 2024 · e556483 · e556483
1 parent 4a51137
commit e556483
Show file tree

Hide file tree

Showing 14 changed files with 469 additions and 12,512 deletions.
diff --git a/...ulations/data/topology_manager/41eda33a717f50588440a0219cbccd23/molecule/mop_tetramer.mol b/...ulations/data/topology_manager/41eda33a717f50588440a0219cbccd23/molecule/mop_tetramer.mol
diff --git a/...ulations/data/topology_manager/41eda33a717f50588440a0219cbccd23/molecule/mop_tetramer.pdb b/...ulations/data/topology_manager/41eda33a717f50588440a0219cbccd23/molecule/mop_tetramer.pdb
diff --git a/.../data/topology_manager/41eda33a717f50588440a0219cbccd23/molecule/mop_tetramer_charges.sdf b/.../data/topology_manager/41eda33a717f50588440a0219cbccd23/molecule/mop_tetramer_charges.sdf
diff --git a/.../topology_manager/41eda33a717f50588440a0219cbccd23/molecule/mop_tetramer_openff-2.0.0.gro b/.../topology_manager/41eda33a717f50588440a0219cbccd23/molecule/mop_tetramer_openff-2.0.0.gro