Skip to content

Commit

Permalink
Merge pull request #90 from openforcefield/hydrogen_typo
Browse files Browse the repository at this point in the history
Fix typo in parameter `t56`
  • Loading branch information
j-wags authored Jun 25, 2019
2 parents 750810e + 91fb30a commit ac3416c
Showing 1 changed file with 2 additions and 2 deletions.
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
<?xml version='1.0' encoding='ASCII'?>
<SMIRNOFF version="0.1" aromaticity_model="OEAroModel_MDL">
<!-- SMIRNOFF (SMIRKS Native Open Force Field) template file -->
<Date>Date: Feb. 14, 2019</Date>
<Date>Date: June 24, 2019</Date>
<Author>C. I. Bayly, OpenEye/UC Irvine; C. C. Bannan, UC Irvine; D. L. Mobley, UC Irvine</Author>
<!-- This file is meant for processing via openforcefield.typing.engines.smirnoff -->
<!-- WARNING: AMBER functional forms drop the factor of 2 in the bond energy term, so cross-comparing this file with a corresponding .frcmod file, it will appear that the values here are twice as large as they should be. -->
Expand Down Expand Up @@ -195,7 +195,7 @@
<Proper smirks="[*:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]" id="t53" idivf1="1" k1="1.000" periodicity1="3" phase1="0.0"/>
<Proper smirks="[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]" id="t54" idivf1="1" k1="0.000" periodicity1="1" phase1="0.0"/>
<Proper smirks="[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]" id="t55" idivf1="1" k1="2.700" periodicity1="1" phase1="0.0"/>
<Proper smirks="[!1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]" id="t56" idivf1="1" k1="0.156" periodicity1="3" phase1="0.0"/>
<Proper smirks="[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]" id="t56" idivf1="1" k1="0.156" periodicity1="3" phase1="0.0"/>
<Proper smirks="[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]" id="t57" idivf1="1" k1="1.000" periodicity1="3" phase1="0.0"/>
<Proper smirks="[*:1]-[#7X4:2]-[#6X3:3]~[*:4]" id="t58" idivf1="1" k1="0.000" periodicity1="1" phase1="0.0"/>
<Proper smirks="[*:1]-[#6X4:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4]" id="t59" idivf1="1" k1="0.000" periodicity1="2" phase1="0.0" phase2="0.0" k2="0.000" periodicity2="3" idivf2="1"/>
Expand Down

0 comments on commit ac3416c

Please sign in to comment.