X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fio_wham.f90;h=23530b60a8c1ec942b48c52cef7e5d6e1e030ea1;hb=726f5567e5b296dfadb884e2db91562c1a46536c;hp=eaea35f0ea61c299e4b9c34a9efe2784102ad781;hpb=299e2c41124d3fa8adba7244716515a2cc160ed1;p=unres4.git diff --git a/source/wham/io_wham.f90 b/source/wham/io_wham.f90 index eaea35f..23530b6 100644 --- a/source/wham/io_wham.f90 +++ b/source/wham/io_wham.f90 @@ -1929,7 +1929,7 @@ enddo return 1 endif call readi(controlcard,"NPARMSET",nparmset,1) -write(iout,*)"in read_gen data" +!elwrite(iout,*)"in read_gen data" separate_parset = index(controlcard,"SEPARATE_PARSET").gt.0 call readi(controlcard,"IPARMPRINT",iparmprint,1) write (iout,*) "PARMPRINT",iparmprint @@ -1938,7 +1938,7 @@ write(iout,*)"in read_gen data" nparmset, Max_Parm return 1 endif -write(iout,*)"in read_gen data" +!elwrite(iout,*)"in read_gen data" call readi(controlcard,"MAXIT",maxit,5000) call reada(controlcard,"FIMIN",fimin,1.0d-3) call readi(controlcard,"ENSEMBLES",ensembles,0) @@ -1948,7 +1948,7 @@ write(iout,*)"in read_gen data" call multreadi(controlcard,"ISAMPL",isampl,nparmset,1) write (iout,*) "MaxSlice",MaxSlice call readi(controlcard,"NSLICE",nslice,1) -write(iout,*)"in read_gen data" +!elwrite(iout,*)"in read_gen data" call flush(iout) if (nslice.gt.MaxSlice) then write (iout,*) "Error: parameter out of range: NSLICE",nslice,& @@ -2358,7 +2358,7 @@ write(iout,*)"in read_gen data" !el integer ilen !el external ilen integer :: i,j,k -write(iout,*)"jestesmy w read_compar" +!elwrite(iout,*)"jestesmy w read_compar" call card_concat(controlcard,.true.) pdbref=(index(controlcard,'PDBREF').gt.0) call reada(controlcard,'CUTOFF_UP',rmscut_base_up,4.0d0) @@ -2562,8 +2562,9 @@ write(iout,*)"jestesmy w read_compar" do i=1,nres itype_pdb(i)=itype(i) enddo -write(iout,*)"jestesmy przed readpdb" + call readpdb + do i=1,nres iaux=itype_pdb(i) itype_pdb(i)=itype(i)