last two dihedrals from 2009 paper

Author: richardjgowers

foyer/forcefields/trappe-ua.xml

@@ -202,8 +202,12 @@
   <Proper type1="O_acryl_sp2" type2="C_acryl" class3="CHx_sp2" class4="CHx" c0="-0.49271" c1="1.84298" c2="0.84109" c3="-0.80218" c4="1.89237" c5="0.0"/>
   <!-- maerzke T4.6 O-C-C(sp2)-C -->
   <Proper type1="O_acryl_sp3" type2="C_acryl" class3="CHx_sp2" class4="CHx" c0="-0.49271" c1="-1.84298" c2="0.84109" c3="0.80218" c4="1.89237" c5="0.0"/>
+  <!-- maerzke T4.7 C-C-O-C(sp2) n butyl methacrylate -->
+  <Proper class1="CHx" class2="CHx" type3="O_acryl_sp3" type4="C_acryl" c0="-20.93307" c1="5.69981" c2="-5.5519" c3="0.735" c4="-3.41026" c5="0.0"/>
   <!-- maerzke T4.8 C=C-C=C -->
   <Proper type1="CH2_sp2" type2="CH_sp2-Csp2" type3="CH_sp2-Csp2" type4="CH2_sp2" c0="-28.85375" c1="7.05523" c2="-33.6714" c3="-15.29994" c4="13.06235" c5="0.0"/>
+  <!-- maerzke T4.9 CH2=CH-C(sp2)-CH3 isoprene -->
+  <Proper type1="CH2_sp2" type2="CH_sp2-Csp2" type3="C_sp2-Csp2" type4="CH3_sp3" c0="-23.21439" c1="-11.57082" c2="-9.59522" c3="19.30751" c4="-7.84353" c5="0.0"/>
   <!-- 
   No parameters for CHX-[CH2]-[CH]-OH, CHX-[CH2]-[C]-OH, CHX-[CH]-[CH2]-OH,
   CHX-[CH]-[CH]-OH, CHX-[CH]-[C]-OH, CHX-[C]-[CH2]-OH, CHX-[C]-[CH]-OH,
@@ -212,8 +216,6 @@
   <!-- alkenes -->
   <Proper class1="CHx" type2="CH2_sp3" type3="CH_sp2" class4="CHx_sp2" c0="2.27051" c1="-7.75806" c2="1.82536" c3="9.38669" c4="0.0" c5="0.0"/>
   <Proper class1="CHx" type2="CH2_sp3-Cald" type3="CH_sp2" class4="CHx_sp2" c0="2.27051" c1="-7.75806" c2="1.82536" c3="9.38669" c4="0.0" c5="0.0"/>
-
-  <Proper type1="CH2_sp2" type2="CH_sp2-Csp2" type3="C_sp2-Csp2" class4="CHx" c0="-9.69998" c1="-11.57082" c2="17.43875" c3="19.30751" c4="0.0" c5="0.0"/>
  </RBTorsionForce>
  <NonbondedForce coulomb14scale="0" lj14scale="0">
   <Atom type="O" charge="-0.700" sigma="0.302" epsilon="0.773245"/>