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Commit e1f8c0b3 authored by Lee-Ping Wang's avatar Lee-Ping Wang
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Fixed ACE and NME groups for modeller.

parent 0e5073cf
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wrappers/python/simtk/openmm/app/data/hydrogens.xml
View file @ e1f8c0b3
......@@ -16,7 +16,7 @@
<H name="HOP3" parent="OP3"/>
</Residue>
<Residue name="ACE">
<H name="H" parent="C"/>
<H name="H" parent="C" terminal="C"/>
<H name="H1" parent="CH3"/>
<H name="H2" parent="CH3"/>
<H name="H3" parent="CH3"/>
......@@ -313,7 +313,7 @@
<H name="H1" parent="C"/>
<H name="H2" parent="C"/>
<H name="H3" parent="C"/>
<H name="HN2" parent="N"/>
<H name="HN2" parent="N" terminal="N"/>
</Residue>
<Residue name="ORN">
<H name="H" parent="N"/>
......
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