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Unverified Commit 12f17a6c authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #2727 from peastman/excludewith 

Fixed an error using virtual sites with patches
parents bdd1f78a 23ff308e
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wrappers/python/simtk/openmm/app/forcefield.py
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...@@ -813,6 +813,7 @@ class ForceField(object): ...@@ -813,6 +813,7 @@ class ForceField(object):
newSite = deepcopy(site) newSite = deepcopy(site)
newSite.index = indexMap[site.index] newSite.index = indexMap[site.index]
newSite.atoms = [indexMap[i] for i in site.atoms] newSite.atoms = [indexMap[i] for i in site.atoms]
newSite.excludeWith = indexMap[site.excludeWith]
newTemplate.virtualSites = [site for site in newTemplate.virtualSites if site.index != newSite.index] newTemplate.virtualSites = [site for site in newTemplate.virtualSites if site.index != newSite.index]
newTemplate.virtualSites.append(newSite) newTemplate.virtualSites.append(newSite)
return newTemplates return newTemplates
......
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