update

[unres.git] / source / wham / src-M-SAXS-homology / molread_zs.F

diff --git a/source/wham/src-M-SAXS-homology/molread_zs.F b/source/wham/src-M-SAXS-homology/molread_zs.F
index 57acbeb..d7f586d 100644 (file)
--- a/source/wham/src-M-SAXS-homology/molread_zs.F
+++ b/source/wham/src-M-SAXS-homology/molread_zs.F
@@ -16,6 +16,7 @@ C
       include 'COMMON.SBRIDGE'
       include 'COMMON.TORCNSTR'
       include 'COMMON.CONTROL'
+      include 'COMMON.SAXS'
       character*4 sequence(maxres)
       integer rescode,tperm
       double precision x(maxvar)
@@ -24,19 +25,6 @@ C
       logical seq_comp
       double precision secprob(3,maxdih_constr),phihel,phibet
       call card_concat(controlcard,.true.)
-      call reada(controlcard,'SCAL14',scal14,0.4d0)
-      call reada(controlcard,'SCALSCP',scalscp,1.0d0)
-      call reada(controlcard,'CUTOFF',cutoff_corr,7.0d0)
-      call reada(controlcard,'DELT_CORR',delt_corr,0.5d0)
-      r0_corr=cutoff_corr-delt_corr
-C     Bartek
-      call reada(controlcard,'WDFAD',wdfa_dist,0.0d0)
-      call reada(controlcard,'WDFAT',wdfa_tor,0.0d0)
-      call reada(controlcard,'WDFAN',wdfa_nei,0.0d0)
-      call reada(controlcard,'WDFAB',wdfa_beta,0.0d0)
-      write (iout,*) "wdfa_dist",wdfa_dist," wdfa_tor",wdfa_tor,
-     &  " wdfa_nei",wdfa_nei," wdfa_beta",wdfa_beta
-      r0_corr=cutoff_corr-delt_corr
       call readi(controlcard,"NRES",nres,0)
       iscode=index(controlcard,"ONE_LETTER")
       if (nres.le.0) then
@@ -105,25 +93,6 @@ C Convert sequence to numeric code
       if (itype(1).eq.ntyp1) nnt=2
       if (itype(nres).eq.ntyp1) nct=nct-1
       write(iout,*) 'NNT=',NNT,' NCT=',NCT
-#ifdef DFA
-C     Juyong:READ init_vars
-C     Initialize variables!
-C     Juyong:READ read_info
-C     READ fragment information!!
-C     both routines should be in dfa.F file!!
-
-      if (.not. (wdfa_dist.eq.0.0 .and. wdfa_tor.eq.0.0 .and.
-     &            wdfa_nei.eq.0.0 .and. wdfa_beta.eq.0.0)) then
-       write (iout,*) "Calling init_dfa_vars"
-       call flush(iout)
-       call init_dfa_vars
-       write (iout,*) 'init_dfa_vars finished!'
-       call flush(iout)
-       call read_dfa_info
-       write (iout,*) 'read_dfa_info finished!'
-       call flush(iout)
-      endif
-#endif
       if (with_dihed_constr) then
 
       read (inp,*) ndih_constr
@@ -466,6 +435,7 @@ c-------------------------------------------------------------------------------
       include 'COMMON.CHAIN'
       include 'COMMON.IOUNITS'
       include 'COMMON.SBRIDGE'
+      include 'COMMON.SAXS'
       double precision cm(3)
 c      read(inp,*) nsaxs
       write (iout,*) "Calling read_saxs nsaxs",nsaxs