xdrf2pdb-m MREMD no uconst_back

[unres.git] / source / unres / src_MD-M / readrtns_CSA.F

diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F
index ab7b808..69c0816 100644 (file)
--- a/source/unres/src_MD-M/readrtns_CSA.F
+++ b/source/unres/src_MD-M/readrtns_CSA.F
@@ -963,7 +963,7 @@ c----------------------
           call MPI_Finalize(MPI_COMM_WORLD,IERROR)
           stop 'Error reading reference structure'
 #endif
-   39     call chainbuild
+   39     call chainbuild_extconf
           call setup_var
 czscore          call geom_to_var(nvar,coord_exp_zs(1,1))
           nstart_sup=nnt
@@ -1082,7 +1082,10 @@ C initial geometry.
             enddo
             return
           else
+            write (iout,*) "Calling read_ang"
             call read_angles(inp,*36)
+            write (iout,*) "Calling chainbuild"
+            call chainbuild_extconf
           endif
           goto 37
    36     write (iout,'(a)') 'Error reading angle file.'
@@ -2117,6 +2120,8 @@ C Get parameter filenames and open the parameter files.
       open (ielep,file=elename,status='old')
       call getenv_loc('SIDEPAR',sidename)
       open (isidep,file=sidename,status='old')
+      call getenv_loc('LIPTRANPAR',liptranname)
+      open (iliptranpar,file=liptranname,status='old')
 #else
       open(1,file=pref_orig(:ilen(pref_orig))//'.inp',status='old',
      &  readonly)
@@ -2148,7 +2153,7 @@ c      print *,ithep_pdb," opened"
       call getenv_loc('SIDEPAR',sidename)
       open (isidep,file=sidename,status='old',readonly)
       call getenv_loc('LIPTRANPAR',liptranname)
-      open (iliptranpar,file=liptranname,status='old',action='read')
+      open (iliptranpar,file=liptranname,status='old',readonly)
 #ifndef CRYST_SC
       call getenv_loc('ROTPARPDB',rotname_pdb)
       open (irotam_pdb,file=rotname_pdb,status='old',action='read')