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Commit 59982c00 authored by peastman's avatar peastman
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Merge pull request #247 from peastman/master 

Fixed some incorrect parameters in SWM4-NDP water model
parents 2def8113 ce9e41ab
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wrappers/python/simtk/openmm/app/data/swm4ndp.xml
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......@@ -12,7 +12,7 @@
<Atom name="H2" type="swm4ndp-H"/>
<Atom name="M" type="swm4ndp-M"/>
<Atom name="OD" type="swm4ndp-OD"/>
<VirtualSite type="average3" index="3" atom1="0" atom2="1" atom3="2" weight1="0.786646558" weight2="0.106676721" weight3="0.106676721"/>
<VirtualSite type="average3" index="3" atom1="0" atom2="1" atom3="2" weight1="0.589781071" weight2="0.2051094645" weight3="0.2051094645"/>
<Bond from="0" to="1"/>
<Bond from="0" to="2"/>
</Residue>
......
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