Fix the mbondi radii specification (for the HCT GB model in CHARMM files).

66bcd1e0 · Jason Swails · 8dfd8921 · 66bcd1e0
Commit 66bcd1e0 authored Apr 21, 2014 by Jason Swails
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wrappers/python/simtk/openmm/app/charmmpsffile.py wrappers/python/simtk/openmm/app/charmmpsffile.py +1 -1

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--- a/wrappers/python/simtk/openmm/app/charmmpsffile.py
+++ b/wrappers/python/simtk/openmm/app/charmmpsffile.py
@@ -1596,7 +1596,7 @@ def _mbondi_radii(atom_list):
            else:
                radii[i] = 1.2
        # Radius of C atom depends on what type it is
-        elif atom.atomic_number == 6:
+        elif atom.type.atomic_number == 6:
            radii[i] = 1.7
        # All other elements have fixed radii for all types/partners
        elif atom.type.atomic_number == 7: