update

[unres.git] / source / wham / src-M / wham_multparm.F

diff --git a/source/wham/src-M/wham_multparm.F b/source/wham/src-M/wham_multparm.F
index e80a39d..a3a862f 100644 (file)
--- a/source/wham/src-M/wham_multparm.F
+++ b/source/wham/src-M/wham_multparm.F
@@ -55,43 +55,48 @@ c NaNQ initialization
       call openunits
       call cinfo
       call read_general_data(*10)
-      call flush(iout)
+c      write (iout,*) "read_general_data"
+c      call flush(iout)
       call molread(*10)
-      call flush(iout)
+c      write (iout,*) "molread"
+c      call flush(iout)
+c      write (iout,*) "MAIN: constr_dist",constr_dist
+      if (constr_dist.gt.0) call read_dist_constr
 #ifdef MPI 
-      write (iout,*) "Calling proc_groups"
+c      write (iout,*) "Calling proc_groups"
       call proc_groups
-      write (iout,*) "proc_groups exited"
-      call flush(iout)
+c      write (iout,*) "proc_groups exited"
+c      call flush(iout)
 #endif
       do ipar=1,nParmSet
-        write (iout,*) "Calling parmread",ipar
+c        write (iout,*) "Calling parmread",ipar
         call parmread(ipar,*10)
         if (.not.separate_parset) then
           call store_parm(ipar)
-          write (iout,*) "Finished storing parameters",ipar
+c          write (iout,*) "Finished storing parameters",ipar
         else if (ipar.eq.myparm) then
           call store_parm(1)
-          write (iout,*) "Finished storing parameters",ipar
+c          write (iout,*) "Finished storing parameters",ipar
         endif
-        call flush(iout)
+c        call flush(iout)
       enddo
       call read_efree(*10)
-      write (iout,*) "Finished READ_EFREE"
-      call flush(iout)
+      if (adaptive) call PMFread
+c      write (iout,*) "Finished READ_EFREE"
+c      call flush(iout)
       call read_protein_data(*10)
-      write (iout,*) "Finished READ_PROTEIN_DATA"
-      call flush(iout)
+c      write (iout,*) "Finished READ_PROTEIN_DATA"
+c      call flush(iout)
       if (indpdb.gt.0) then
         call promienie
         call read_compar
         call read_ref_structure(*10)
         call proc_cont
         call fragment_list
-        if (constr_dist.gt.0) call read_dist_constr
       endif
-      write (iout,*) "Begin read_database"
-      call flush(iout)
+C      if (constr_dist.gt.0) call read_dist_constr
+c      write (iout,*) "Begin read_database"
+c      call flush(iout)
       call read_database(*10)
       write (iout,*) "Finished read_database"
       call flush(iout)