This patch also adjusts the parameters for torsions
over N-CA bonds in the termini, according to
suggestions by Justin Lemkul & Drazen Petrov.
Fixes #1022.
Change-Id: Ib00d69eeddf924b1e7e2de33475d774d7da54899
CA N H2 ga_10
CA N H3 ga_10
[ dihedrals ]
-H1 N CA C gd_14
+H1 N CA C gd_19
[ NH2 ]
[ replace ]
CA N H1 ga_10
CA N H2 ga_10
[ dihedrals ]
-H1 N CA C gd_14
+H1 N CA C gd_19
[ PRO-NH2+ ]
[ replace ]
CD N H1 ga_10
CD N H2 ga_10
[ dihedrals ]
-H1 N CA C gd_14
+CD N CA C gd_19
[ PRO-NH ]
[ replace ]
[ angles ]
CA N H ga_10
CD N H ga_10
+[ dihedrals ]
+CD N CA C gd_19
[ GLY-NH3+ ]
[ replace ]
CA N H2 ga_10
CA N H3 ga_10
[ dihedrals ]
-H1 N CA C gd_14
+H1 N CA C gd_19
CA N H2 ga_10
CA N H3 ga_10
[ dihedrals ]
-H1 N CA C gd_14
+H1 N CA C gd_19
[ NH2 ]
[ replace ]
CA N H1 ga_10
CA N H2 ga_10
[ dihedrals ]
-H1 N CA C gd_14
+H1 N CA C gd_19
[ PRO-NH2+ ]
[ replace ]
CD N H1 ga_10
CD N H2 ga_10
[ dihedrals ]
-H1 N CA C gd_14
+CD N CA C gd_19
[ PRO-NH ]
[ replace ]
[ angles ]
CA N H ga_10
CD N H ga_10
+[ dihedrals ]
+CD N CA C gd_19
[ GLY-NH3+ ]
[ replace ]
CA N H2 ga_10
CA N H3 ga_10
[ dihedrals ]
-H1 N CA C gd_14
+H1 N CA C gd_19
CA N H2 ga_11
CA N H3 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39
[ NH2 ]
[ replace ]
CA N H1 ga_11
CA N H2 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39
[ PRO-NH2+ ]
[ replace ]
CD N H1 ga_11
CD N H2 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+CD N CA C gd_39
[ PRO-NH ]
[ replace ]
[ angles ]
CA N H ga_11
CD N H ga_11
+[ dihedrals ]
+CD N CA C gd_39
[ GLY-NH3+ ]
[ replace ]
CA N H2 ga_11
CA N H3 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39
CA N H2 ga_11
CA N H3 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39
[ NH2 ]
[ replace ]
CA N H1 ga_11
CA N H2 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39
[ PRO-NH2+ ]
[ replace ]
CD N H1 ga_11
CD N H2 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+CD N CA C gd_39
[ PRO-NH ]
[ replace ]
[ angles ]
CA N H ga_11
CD N H ga_11
+[ dihedrals ]
+CD N CA C gd_39
[ GLY-NH3+ ]
[ replace ]
CA N H2 ga_11
CA N H3 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39
CA N H2 ga_11
CA N H3 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39
[ NH2 ]
[ replace ]
CA N H1 ga_11
CA N H2 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39
[ PRO-NH2+ ]
[ replace ]
CD N H1 ga_11
CD N H2 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+CD N CA C gd_39
[ PRO-NH ]
[ replace ]
[ angles ]
CA N H ga_11
CD N H ga_11
+[ dihedrals ]
+CD N CA C gd_39
[ GLY-NH3+ ]
[ replace ]
CA N H2 ga_11
CA N H3 ga_11
[ dihedrals ]
-H1 N CA C gd_29
+H1 N CA C gd_39