Added ASPP and GLUP to residuetypes.dat.
authorJustin Lemkul <jalemkul@vt.edu>
Tue, 21 Jan 2014 15:40:36 +0000 (10:40 -0500)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 21 Jan 2014 16:17:48 +0000 (17:17 +0100)
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

index 1e8d527ed77e593017f9aced3ab1d72a8d49f4a1..22943e384bf668d4714733bf68d838a9a948f998 100644 (file)
@@ -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