Add TIP4PEw name.

67cd9e18 · Jason Swails · e2c80f2e · 67cd9e18
Commit 67cd9e18 authored Nov 18, 2014 by Jason Swails
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wrappers/python/simtk/openmm/app/internal/amber_file_parser.py ...ers/python/simtk/openmm/app/internal/amber_file_parser.py +1 -1

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--- a/wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
+++ b/wrappers/python/simtk/openmm/app/internal/amber_file_parser.py
@@ -720,7 +720,7 @@ def readAmberSystem(prmtop_filename=None, prmtop_loader=None, shake=None, gbmode
        system.addParticle(mass)

    # Add constraints.
-    isWater = [prmtop.getResidueLabel(i) == ('WAT', 'TP4', 'TP5') for i in range(prmtop.getNumAtoms())]
+    isWater = [prmtop.getResidueLabel(i) == ('WAT', 'TP4', 'TP5', 'T4E') for i in range(prmtop.getNumAtoms())]
    if shake in ('h-bonds', 'all-bonds', 'h-angles'):
        for (iAtom, jAtom, k, rMin) in prmtop.getBondsWithH():
            system.addConstraint(iAtom, jAtom, rMin)