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Unverified Commit ae42c911 authored by Yaoyi Chen's avatar Yaoyi Chen Committed by GitHub
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support NHE C-terminal caps (#4014)

parent 3dc2f12f
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wrappers/python/openmm/app/data/pdbNames.xml
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...@@ -237,7 +237,7 @@ ...@@ -237,7 +237,7 @@
<Atom name="H2" alt1="2H" alt2="2HA" alt3="HT2" alt4="HH32" alt5="2HH3"/> <Atom name="H2" alt1="2H" alt2="2HA" alt3="HT2" alt4="HH32" alt5="2HH3"/>
<Atom name="H3" alt1="3H" alt2="3HA" alt3="HT3" alt4="HH33" alt5="3HH3"/> <Atom name="H3" alt1="3H" alt2="3HA" alt3="HT3" alt4="HH33" alt5="3HH3"/>
</Residue> </Residue>
<Residue name="NH2" type="Protein"> <Residue name="NH2" alt1="NHE" type="Protein">
<Atom name="N" alt1="NT"/> <Atom name="N" alt1="NT"/>
<Atom name="HN1" alt1="1H" alt2="HT1" alt3="H1"/> <Atom name="HN1" alt1="1H" alt2="HT1" alt3="H1"/>
<Atom name="HN2" alt1="2H" alt2="HT2" alt3="H2"/> <Atom name="HN2" alt1="2H" alt2="HT2" alt3="H2"/>
......
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