X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fio_config.f90;h=e51336beed0096d1df8de27a0390ceeeb71b3ba9;hb=4baa9e481f53d4c89b076f3aece756fc47282649;hp=3f4303ac0a17a5e96f77b87baf4ce8af642b1d10;hpb=c6876dcce64a90f33b45e64810b2bf7f2de7d79e;p=unres4.git diff --git a/source/unres/io_config.f90 b/source/unres/io_config.f90 index 3f4303a..e51336b 100644 --- a/source/unres/io_config.f90 +++ b/source/unres/io_config.f90 @@ -529,9 +529,9 @@ ! read secondary structure prediction from JPRED here! ! read(isecpred,'(A80)',err=100,end=100) line ! read(line,'(f10.3)',err=110) ftors - read(isecpred,'(f10.3)',err=110) ftors + read(isecpred,'(f10.3)',err=110) ftors(1) - write (iout,*) 'FTORS factor =',ftors + write (iout,*) 'FTORS factor =',ftors(1) ! initialize secstruc to any do i=1,nres secstruc(i) ='-' @@ -553,6 +553,7 @@ ii=0 do i=1,nres + ftors(i)=ftors(1) if ( secstruc(i) .eq. 'H') then ! Helix restraints for this residue ii=ii+1