Fix old behavior.

aba4c054 · Jason Swails · eb215a4d · aba4c054
Commit aba4c054 authored Mar 19, 2015 by Jason Swails
Hide whitespace changes
Inline Side-by-side

Showing with 2 additions and 3 deletions

wrappers/python/simtk/openmm/app/internal/amber_file_parser.py ...ers/python/simtk/openmm/app/internal/amber_file_parser.py +2 -3

No files found.
--- a/wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
+++ b/wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
@@ -783,9 +783,8 @@ def readAmberSystem(topology, prmtop_filename=None, prmtop_loader=None, shake=No
            atomI = topatoms[iAtom]
            atomJ = topatoms[jAtom]
            atomK = topatoms[kAtom]
-            numH = ((atomI.element.atomic_number == 1) + (atomJ.element.atomic_number == 1) +
+            numH = ((atomI.element.atomic_number == 1) + (atomK.element.atomic_number == 1))
-                    (atomK.element.atomic_number == 1))
+            constrained = (numH == 2 or (numH == 1 and atomJ.element is elem.oxygen))
-            constrained = (numH == 2 or (numH == 1 and atomK.element is elem.oxygen))
        else:
            constrained = False
        if constrained: