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Mapped HIS1 to HSD in charmm27.
authorRossen Apostolov <rossen@kth.se>
Mon, 26 May 2014 13:52:05 +0000 (15:52 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 11 Jun 2014 22:05:01 +0000 (00:05 +0200)
Fixes #1133.

Change-Id: I6c289af9b58c8e7cd66f36982bf118505aa38f7d

share/top/charmm27.ff/aminoacids.r2b patch | blob | history

diff --git a/share/top/charmm27.ff/aminoacids.r2b b/share/top/charmm27.ff/aminoacids.r2b
index 41bcbab9f1415cf2f0c653c0537854c0583ba5ec..f3e88d2682c818df69b4ac6b31ebda897c917855 100644 (file)
--- a/share/top/charmm27.ff/aminoacids.r2b
+++ b/share/top/charmm27.ff/aminoacids.r2b
@@ -1,6 +1,7 @@
 ; rtp residue to rtp building block table
 ;GMX   Force-field
 HISD   HSD
+HIS1   HSD
 HISE   HSE
 HISH   HSP
 LYSN   LSN
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