random generation for nucleic acids

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

diff --git a/source/unres/data/names.F90 b/source/unres/data/names.F90
index c2d8b58..763bf8f 100644 (file)
--- a/source/unres/data/names.F90
+++ b/source/unres/data/names.F90
@@ -15,7 +15,7 @@
 !-----------------------------------------------------------------------------
 !      block data nazwy
 !el      allocate(restyp(-ntyp1:ntyp1))        !(-ntyp1:ntyp1)
-        character(len=3),dimension(-ntyp1:ntyp1,maxmolec) :: restyp = reshape(&
+        character(len=3),dimension(-ntyp1:ntyp1,maxmolec) :: restyp = (&
         (/'DD ','DDX','DDY','DDZ','DAU','DAI','DDB','DSM','DPR','DLY', &
           'DAR','DHI','DAS',&
        'DGL','DSG','DGN','DSN','DTH',&
@@ -29,30 +29,29 @@
        '   ','   ','   ','   ','   ','   ',&
        'A  ','G  ','C  ','T  ','U  ','X  ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ',&
+       '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ', &
        '   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ',&
+       '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ', &
        '   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ',&
+       '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ', &
        '   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ',&
        'NA+','MG2','K+ ','CA2','CL-','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
-       '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
-       '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
-       '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
-       '   ','   ','   ','   ','   ','   ','   ','   ','   ','   ',&
        '   ','   ','   ','   ','   ','   ','   ','   ','   ','   '&
-       /),(/ntyp11,maxmolec/))
+       /))
 !el      allocate(onelet(-ntyp1:ntyp1))         !(-ntyp1:ntyp1)
         character(len=1),dimension(-ntyp1:ntyp1) :: onelet = reshape(&
         (/'z','z','z','z','z','z','z','z',&
@@ -104,8 +103,8 @@
         "WHPB      ","WVDWPP    ","WSCP14    ","WBOND     ","WSCCOR    ","WDIHC     ","WSC       ",&
         "WLT       ","          ","          ","WTUBE     " ,&
         "WVDWPP    ","WELPP     ","WVDWPSB   ","WELPSB    ","WVDWSB    ",&
-        "WELSB     ","WBOND     ","WANG      ","WSBLOC    ","WTOR      ",&
-        "WTORD     ","WCORR     ","WCORR3    ","WNULL     ","WNULL     ",&
+        "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   "/)