corrections in shift

[unres4.git] / source / unres / data / names.F90

diff --git a/source/unres/data/names.F90 b/source/unres/data/names.F90
index bb5a975..d1b8d11 100644 (file)
--- a/source/unres/data/names.F90
+++ b/source/unres/data/names.F90
@@ -66,7 +66,7 @@
 !-----------------------------------------------------------------------------
 !-----------------------------------------------------------------------------
 ! Number of energy components
-      integer,parameter :: n_ene=49
+      integer,parameter :: n_ene=50
       integer :: n_ene2=2*n_ene
 !-----------------------------------------------------------------------------
 ! common.names
@@ -95,7 +95,8 @@
         "EESSB     ","ESTR      ","EBE       ","ESBLOC    ","ETORS     ",&
         "ETORSD    ","ECORR     ","ECORR3    ","NULL      ","NULL      ",&
         "ECATPROT  ","ECATCAT   ","NULL      ","NULL      ","NULL      ",&
-        "ESCBASE   ","EPEPBASE  ","ESCPHO    ","EPEPPHO   "/)
+        "ESCBASE   ","EPEPBASE  ","ESCPHO    ","EPEPPHO   ",&
+        "ECATION_NUCL"/)
 
       character(len=10),dimension(n_ene) :: wname = &
       (/"WSC       ","WSCP      ","WELEC     ","WCORR     ","WCORR5    ","WCORR6    ","WEL_LOC   ",&
@@ -106,13 +107,13 @@
         "WELSB     ","WBOND_NUCL","WANG_NUCL ","WSBLOC    ","WTOR_NUCL ",&
         "WTORD_NUCL","WCORR_NUCL","WCORR3_NUC","WNULL     ","WNULL     ",&
         "WCATPROT  ","WCATCAT   ","WNULL     ","WNULL     ","WNULL     ",&
-        "WSCBASE   ","WPEPBASE  ","WSCPHO    ","WPEPPHO   "/)
+        "WSCBASE   ","WPEPBASE  ","WSCPHO    ","WPEPPHO   ","WCATNUCL  "/)
 
       integer :: nprint_ene = 21
       integer,dimension(n_ene) :: print_order = &
          (/1,2,3,18,11,12,13,14,4,5,6,7,8,9,10,19,16,15,17,20,21,22,23,24,25,&
          26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,&
-         48,49/)
+         48,49,50/)
 
       character(len=1), dimension(2) :: sugartyp = (/'D',' '/)
 !#endif