Enable terminus-specific atom translation

[alexxy/gromacs.git] / share / top / xlateat.dat

diff --git a/share/top/xlateat.dat b/share/top/xlateat.dat
index 71583c184f09ef3102a4b3b26d6c8d306071e18a..ff815a5ec0713ff518c792f3138fd6e9cf46c4e0 100644 (file)
--- a/share/top/xlateat.dat
+++ b/share/top/xlateat.dat
@@ -1,28 +1,28 @@
 26
-ILE     CD1    CD
-ILE     HD11   HD1
-ILE      HD12   HD2
-ILE      HD13   HD3
-HOH     O      OW
-HOH      OW1    OW
-HO4     O      OW
-HO4      OW1    OW
-HO5     O      OW
-HO5      OW1    OW
-HEME    N_A    NA
-HEME    N_B    NB
-HEME    N_C    NC
-HEME    N_D    ND
-protein         O1     O
-protein         O2     OXT
-protein         OT1    O
-protein         OT2    OXT
-protein         OT     OXT
-protein  O'     O
-protein  O''    OXT
-protein  OC1   O
-protein  OC2   OXT
-protein  HN     H
-protein  HT1    H1
-protein  HT2    H2
-protein  HT3    H3
+ILE            CD1    CD
+ILE            HD11   HD1
+ILE            HD12   HD2
+ILE            HD13   HD3
+HOH            O      OW
+HOH            OW1    OW
+HO4            O      OW
+HO4            OW1    OW
+HO5            O      OW
+HO5            OW1    OW
+HEME           N_A    NA
+HEME           N_B    NB
+HEME           N_C    NC
+HEME           N_D    ND
+protein        HN     H
+protein-nterm  HT1    H1
+protein-nterm  HT2    H2
+protein-nterm  HT3    H3
+protein-cterm  O1     O
+protein-cterm  O2     OXT
+protein-cterm  OT1    O
+protein-cterm  OT2    OXT
+protein-cterm  OT     OXT
+protein-cterm  O'     O
+protein-cterm  O''    OXT
+protein-cterm  OC1    O
+protein-cterm  OC2    OXT