X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fwham_multparm.F;h=a3a862f0c4f5aca8ab49e0b0e6546b2f57502129;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=e80a39d8ec9729c2ca55157495e95f4c28087d19;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/wham/src-M/wham_multparm.F b/source/wham/src-M/wham_multparm.F index e80a39d..a3a862f 100644 --- 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)