Skip to content

GitLab

Commit d2dde018 authored by peastman's avatar peastman
Browse files

Merge pull request #138 from peastman/master 

Fixes to adding hydrogens to RNA
parents 839b1549 15d8a466
Hide whitespace changes
Inline Side-by-side
Showing with 0 additions and 8 deletions
wrappers/python/simtk/openmm/app/data/hydrogens.xml
View file @ d2dde018
......@@ -13,8 +13,6 @@
<H name="H8" parent="C8"/>
<H name="HO2'" parent="O2'"/>
<H name="HO3'" parent="O3'" terminal="C"/>
<H name="HOP2" parent="OP2"/>
<H name="HOP3" parent="OP3"/>
</Residue>
<Residue name="ACE">
<H name="H" parent="C" terminal="C"/>
......@@ -94,8 +92,6 @@
<H name="H6" parent="C6"/>
<H name="HO2'" parent="O2'"/>
<H name="HO3'" parent="O3'" terminal="C"/>
<H name="HOP2" parent="OP2"/>
<H name="HOP3" parent="OP3"/>
</Residue>
<Residue name="CYS">
<Variant name="CYS"/>
......@@ -187,8 +183,6 @@
<H name="H8" parent="C8"/>
<H name="HO2'" parent="O2'"/>
<H name="HO3'" parent="O3'" terminal="C"/>
<H name="HOP2" parent="OP2"/>
<H name="HOP3" parent="OP3"/>
</Residue>
<Residue name="GLN">
<H name="H" parent="N"/>
......@@ -420,8 +414,6 @@
<H name="H6" parent="C6"/>
<H name="HO2'" parent="O2'"/>
<H name="HO3'" parent="O3'" terminal="C"/>
<H name="HOP2" parent="OP2"/>
<H name="HOP3" parent="OP3"/>
</Residue>
<Residue name="UNK">
<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