Skip to content

GitLab

"platforms/opencl/include/OpenCLParameterSet.h" did not exist on "89870651108013ac69264df021f0b99b9dd29eab"
Commit b0c82b88 authored by peastman's avatar peastman
Browse files

Fixed error with exclusions for Drude particles

parent 88da682c
Show whitespace changes
Inline Side-by-side
Showing with 3 additions and 0 deletions
wrappers/python/simtk/openmm/app/forcefield.py
View file @ b0c82b88
......@@ -1271,6 +1271,9 @@ def _findBondsForExclusions(data, sys):
bondIndices.append((child1, child2))
for child2 in data.excludeAtomWith[atom2]:
bondIndices.append((atom1, child2))
for atom in data.atoms:
for child in data.excludeAtomWith[atom.index]:
bondIndices.append((child, atom.index))
return bondIndices
def _countResidueAtoms(elements):
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment