X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fdihed_cons.F;fp=source%2Funres%2Fsrc_MD-M%2Fdihed_cons.F;h=ddf198d46ccc8e4c5fc58ede253f1355d524cb1e;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=1fb6c53bbeb0c489f559b648997484b25e439139;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/unres/src_MD-M/dihed_cons.F b/source/unres/src_MD-M/dihed_cons.F index 1fb6c53..ddf198d 100644 --- a/source/unres/src_MD-M/dihed_cons.F +++ b/source/unres/src_MD-M/dihed_cons.F @@ -28,9 +28,9 @@ cdr call getenv_loc('SECPREDFIL',secpred) C 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) ='-' @@ -52,6 +52,7 @@ C 8/13/98 Set limits to generating the dihedral angles ii=0 do i=1,nres + ftors(i)=ftors(1) if ( secstruc(i) .eq. 'H') then C Helix restraints for this residue ii=ii+1