Skip to content

GitLab

"openmmapi/vscode:/vscode.git/clone" did not exist on "a39e5bee9f076f8eadeccda8d72575b9f96c6c62"
Commit 73882ac5 authored by peastman's avatar peastman
Browse files

Merge pull request #51 from leeping/hydxmlfix 

Fixed ACE and NME groups for modeller.
parents c0207411 e1f8c0b3
Show whitespace changes
Inline Side-by-side
Showing with 2 additions and 2 deletions
wrappers/python/simtk/openmm/app/data/hydrogens.xml
View file @ 73882ac5
...@@ -16,7 +16,7 @@ ...@@ -16,7 +16,7 @@
<H name="HOP3" parent="OP3"/> <H name="HOP3" parent="OP3"/>
</Residue> </Residue>
<Residue name="ACE"> <Residue name="ACE">
<H name="H" parent="C"/> <H name="H" parent="C" terminal="C"/>
<H name="H1" parent="CH3"/> <H name="H1" parent="CH3"/>
<H name="H2" parent="CH3"/> <H name="H2" parent="CH3"/>
<H name="H3" parent="CH3"/> <H name="H3" parent="CH3"/>
...@@ -313,7 +313,7 @@ ...@@ -313,7 +313,7 @@
<H name="H1" parent="C"/> <H name="H1" parent="C"/>
<H name="H2" parent="C"/> <H name="H2" parent="C"/>
<H name="H3" parent="C"/> <H name="H3" parent="C"/>
<H name="HN2" parent="N"/> <H name="HN2" parent="N" terminal="N"/>
</Residue> </Residue>
<Residue name="ORN"> <Residue name="ORN">
<H name="H" parent="N"/> <H name="H" parent="N"/>
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment