From 84d764865094a81b3398fbfbb62e119859b1b656 Mon Sep 17 00:00:00 2001 From: Rossen Apostolov Date: Mon, 26 May 2014 15:52:05 +0200 Subject: [PATCH] Mapped HIS1 to HSD in charmm27. Fixes #1133. Change-Id: I6c289af9b58c8e7cd66f36982bf118505aa38f7d --- share/top/charmm27.ff/aminoacids.r2b | 1 + 1 file changed, 1 insertion(+) diff --git a/share/top/charmm27.ff/aminoacids.r2b b/share/top/charmm27.ff/aminoacids.r2b index 41bcbab9f1..f3e88d2682 100644 --- 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 -- 2.22.0