rename

[unres4.git] / source / unres / data / names.f90

diff --git a/source/unres/data/names.f90 b/source/unres/data/names.f90
deleted file mode 100644 (file)
index d5a23a2..0000000
--- a/source/unres/data/names.f90
+++ /dev/null
@@ -1,66 +0,0 @@
-      module names
-!-----------------------------------------------------------------------------
-!-----------------------------------------------------------------------------
-! Number of AA types (at present only natural AA's will be handled
-      integer,parameter :: ntyp=24,ntyp1=ntyp+1
-!-----------------------------------------------------------------------------
-! common.names
-!      common /names/
-!el      character(len=3),dimension(:),allocatable :: restyp   !(-ntyp1:ntyp1)
-!el      character(len=1),dimension(:),allocatable :: onelet   !(-ntyp1:ntyp1)
-!-----------------------------------------------------------------------------
-!-----------------------------------------------------------------------------
-!      block data nazwy
-!el      allocate(restyp(-ntyp1:ntyp1))        !(-ntyp1:ntyp1)
-        character(len=3),dimension(-ntyp1:ntyp1) :: restyp = &
-        (/'DD ','DAU','DAI','DDB','DSM','DPR','DLY','DAR','DHI','DAS',&
-       'DGL','DSG','DGN','DSN','DTH',&
-       'DYY','DAL','DTY','DTR','DVA','DLE','DIL','DPN','MED','DCY','ZER',&
-       'CYS','MET','PHE','ILE','LEU','VAL','TRP','TYR','ALA','GLY','THR',&
-       'SER','GLN','ASN','GLU','ASP','HIS','ARG','LYS','PRO','SME','DBZ',&
-       'AIB','ABU','D  '/)
-!el      allocate(onelet(-ntyp1:ntyp1))         !(-ntyp1:ntyp1)
-        character(len=1),dimension(-ntyp1:ntyp1) :: onelet = &
-        (/'z','z','z','z','z','p','k','r','h','d','e','n','q','s',&
-        't','g','a','y','w','v','l','i','f','m','c','x',&
-        'C','M','F','I','L','V','W','Y','A','G','T',&
-        'S','Q','N','E','D','H','R','K','P','z','z','z','z','X'/)
-!-----------------------------------------------------------------------------
-!-----------------------------------------------------------------------------
-! Number of energy components
-      integer,parameter :: n_ene=21
-      integer :: n_ene2=2*n_ene
-!-----------------------------------------------------------------------------
-! common.names
-!#ifndef WHAM_RUN
-!      common /namterm/
-!      character(len=10),dimension(n_ene) :: ename = &
-!      (/"EVDW SC-SC","EVDW2 SC-p","EES p-p   ","ECORR4    ","ECORR5    ",&
-!        "ECORR6    ","EELLO     ","ETURN3    ","ETURN4    ","ETURN6    ",&
-!        "EBE bend  ","ESC SCloc ","ETORS     ","ETORSD    ","EHPB      ","EVDWPP    ",&
-!        "ESTR      ","EVDW2_14  ","UCONST    ","          ","ESCCOR    "/)
-!      character(len=10),dimension(n_ene) :: wname = &
-!      (/"WSC       ","WSCP      ","WELEC     ","WCORR     ","WCORR5    ","WCORR6    ","WEL_LOC   ",&
-!        "WTURN3    ","WTURN4    ","WTURN6    ","WANG      ","WSCLOC    ","WTOR      ","WTORD     ",&
-!        "WSTRAIN   ","WVDWPP    ","WBOND     ","SCAL14    ","          ","          ","WSCCOR    "/)
-!      integer :: nprint_ene = 20
-!      integer,dimension(n_ene) :: print_order = &
-!         (/1,2,3,11,12,13,14,4,5,6,7,8,9,10,19,18,15,17,16,21,0/)
-!#else
-      character(len=10),dimension(n_ene) :: ename = &
-      (/"EVDW SC-SC","EVDW2 SC-p","EES p-p   ","ECORR4    ","ECORR5    ",&
-        "ECORR6    ","EELLO     ","ETURN3    ","ETURN4    ","ETURN6    ",&
-        "EBE bend  ","ESC SCloc ","ETORS     ","ETORSD    ","EHPB      ","EVDWPP    ",&
-        "EVDW2_14  ","ESTR      ","ESCCOR    ","EDIHC     ","EVDW_T    "/)
-      character(len=10),dimension(n_ene) :: wname = &
-      (/"WSC       ","WSCP      ","WELEC"    ,"WCORR      ","WCORR5    ","WCORR6    ","WEL_LOC   ",&
-        "WTURN3    ","WTURN4    ","WTURN6   ","WANG       ","WSCLOC    ","WTOR      ","WTORD     ",&
-        "WHPB      ","WVDWPP    ","WSCP14   ","WBOND      ","WSCCOR    ","WDIHC     ","WSC       "/)
-
-      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/)
-!#endif
-!-----------------------------------------------------------------------------
-!-----------------------------------------------------------------------------
-      end module names