Skip to content

GitLab

Commit 2ee886a9 authored by peastman's avatar peastman
Browse files

Fixed bug in patch definition

parent 80d6bd3b
Hide whitespace changes
Inline Side-by-side
Showing with 4 additions and 2 deletions
wrappers/python/simtk/openmm/app/data/charmm36.xml
View file @ 2ee886a9
......@@ -96343,8 +96343,10 @@
<Patch name="DISU" residues="2">
<RemoveAtom name="1:HG1"/>
<RemoveAtom name="2:HG1"/>
<ChangeAtom charge="-0.1" name="CB" type="CT2"/>
<ChangeAtom charge="-0.08" name="SG" type="SM"/>
<ChangeAtom charge="-0.1" name="1:CB" type="CT2"/>
<ChangeAtom charge="-0.1" name="2:CB" type="CT2"/>
<ChangeAtom charge="-0.08" name="1:SG" type="SM"/>
<ChangeAtom charge="-0.08" name="2:SG" type="SM"/>
<AddBond atomName1="1:SG" atomName2="2:SG"/>
<ApplyToResidue name="1:CYS"/>
<ApplyToResidue name="2:CYS"/>
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