From b654724cac05a95758b9f92e05e29856a0681939 Mon Sep 17 00:00:00 2001 From: Justin Lemkul Date: Tue, 21 Jan 2014 10:40:36 -0500 Subject: [PATCH] Added ASPP and GLUP to residuetypes.dat. CHARMM force fields use this nomenclature for neutral forms of Asp and Glu, unlike other force fields that use ASPH and GLUH. Change-Id: Id67ab0bf336d9da5bbd62a68b86e0a79609253d1 --- share/top/residuetypes.dat | 2 ++ 1 file changed, 2 insertions(+) diff --git a/share/top/residuetypes.dat b/share/top/residuetypes.dat index 1e8d527ed7..22943e384b 100644 --- a/share/top/residuetypes.dat +++ b/share/top/residuetypes.dat @@ -9,6 +9,7 @@ ASN1 Protein ASP Protein ASP1 Protein ASPH Protein +ASPP Protein ASH Protein CT3 Protein CYS Protein @@ -19,6 +20,7 @@ DALA Protein GLN Protein GLU Protein GLUH Protein +GLUP Protein GLH Protein GLY Protein HIS Protein -- 2.22.0