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Fixed typo in oplsaa ASPH charges.
authorRossen Apostolov <rossen@kth.se>
Thu, 19 Jun 2014 13:08:46 +0000 (15:08 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Fri, 20 Jun 2014 14:25:17 +0000 (16:25 +0200)
Part of #1395.

Change-Id: I03c88c8377affadc629c7b9a04d5e8ddd1cb946a

share/top/oplsaa.ff/aminoacids.rtp patch | blob | history

diff --git a/share/top/oplsaa.ff/aminoacids.rtp b/share/top/oplsaa.ff/aminoacids.rtp
index 597e3eb9a4afae11ceaeed611f5ee0b58316468f..abadb0b3865a2f54bf233617378c95f92d1245fe 100644 (file)
--- a/share/top/oplsaa.ff/aminoacids.rtp
+++ b/share/top/oplsaa.ff/aminoacids.rtp
@@ -320,8 +320,8 @@
    HB1    opls_140    0.060     2
    HB2    opls_140    0.060     2
     CG    opls_267    0.520     3
-   OD1    opls_269   -0.530     3
-   OD2    opls_268   -0.440     4
+   OD1    opls_269   -0.440     3
+   OD2    opls_268   -0.530     4
    HD2    opls_270    0.450     4
      C    opls_235    0.500     5
      O    opls_236   -0.500     5
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