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Unverified Commit 4d7ab095 authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #2231 from peastman/psf 

Fixed an error in parsing PSF files with multiple segments
parents bd66a7b9 6f44f338
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wrappers/python/simtk/openmm/app/charmmpsffile.py
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...@@ -702,6 +702,7 @@ class CharmmPsfFile(object): ...@@ -702,6 +702,7 @@ class CharmmPsfFile(object):
if atom.system != last_chain: if atom.system != last_chain:
chain = topology.addChain(atom.system) chain = topology.addChain(atom.system)
last_chain = atom.system last_chain = atom.system
last_residue = None
if resid != last_residue: if resid != last_residue:
last_residue = resid last_residue = resid
residue = topology.addResidue(atom.residue.resname, chain, resid) residue = topology.addResidue(atom.residue.resname, chain, resid)
......
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