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[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 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 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
#ifdef MPI
- write (iout,*) "Calling proc_groups"
+c write (iout,*) "Calling proc_groups"
call 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
#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)
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)
else if (ipar.eq.myparm) then
call store_parm(1)
- write (iout,*) "Finished storing parameters",ipar
+c write (iout,*) "Finished storing parameters",ipar
endif
endif
- call flush(iout)
+c call flush(iout)
enddo
call read_efree(*10)
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)
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 (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
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)
call read_database(*10)
write (iout,*) "Finished read_database"
call flush(iout)