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Unverified Commit 77b23852 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
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Add another synonym for HOH in PDB files (#3590)

parent 98c5b31b
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wrappers/python/openmm/app/data/pdbNames.xml
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......@@ -274,7 +274,7 @@
<Atom name="H72" alt1="2H5M"/>
<Atom name="H73" alt1="3H5M"/>
</Residue>
<Residue name="HOH" alt1="H20" alt2="WAT" alt3="SOL" alt4="TIP3" alt5="TP3">
<Residue name="HOH" alt1="H20" alt2="WAT" alt3="SOL" alt4="TIP3" alt5="TP3" alt6="TIP">
<Atom name="O" alt1="OW" alt2="OH2"/>
<Atom name="H1" alt1="HW1"/>
<Atom name="H2" alt1="HW2"/>
......
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