Fixed error adding exclusions from Gromacs top file (#3198)

f5f2773b · Peter Eastman · GitHub · 473069f0 · f5f2773b
Unverified Commit f5f2773b authored Aug 04, 2021 by Peter Eastman Committed by GitHub Aug 04, 2021
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wrappers/python/openmm/app/gromacstopfile.py wrappers/python/openmm/app/gromacstopfile.py +1 -2

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--- a/wrappers/python/openmm/app/gromacstopfile.py
+++ b/wrappers/python/openmm/app/gromacstopfile.py
@@ -997,8 +997,7 @@ class GromacsTopFile(object):
                for fields in moleculeType.exclusions:
                    atoms = [int(x)-1 for x in fields]
                    for atom in atoms[1:]:
-                        if atom > atoms[0]:
-                            exclusions.append((baseAtomIndex+atoms[0], baseAtomIndex+atom))
+                        exclusions.append((baseAtomIndex+atoms[0], baseAtomIndex+atom))

                # Record virtual sites