X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2Fread_constr_homology.F;fp=source%2Fwham%2Fsrc-HCD%2Fread_constr_homology.F;h=0af2bdbaff12f3494e7189d1db68e5a1cc26bb35;hb=225ad1b2239a64aee5d46570c477e74c19cf6ef7;hp=dece50f58c97fd4479a1ceb558980b3b6d423632;hpb=29dca221ada246dbf1a26c9e0e4fe12ee1e6b978;p=unres.git diff --git a/source/wham/src-HCD/read_constr_homology.F b/source/wham/src-HCD/read_constr_homology.F index dece50f..0af2bdb 100644 --- a/source/wham/src-HCD/read_constr_homology.F +++ b/source/wham/src-HCD/read_constr_homology.F @@ -165,6 +165,7 @@ c call readpdb write (iout,*) "read_constr_homology: after reading pdb file" call flush(iout) #endif + c c Distance restraints c @@ -553,14 +554,18 @@ c Distance restraints c c ... --> odl(k,ii) C Copy the coordinates from reference coordinates (?) +c write (iout,*) "k",k do i=1,2*nres do j=1,3 c(j,i)=chomo(j,i,k) -c write (iout,*) "c(",j,i,") =",c(j,i) +c write (iout,*) "c(",j,i,") =",c(j,i) enddo enddo +c call cartprint +c write (iout,*) "read_klapaucjusz: calling int_from_cart" call int_from_cart(.true.,.false.) call sc_loc_geom(.false.) +c write (iout,*) "en" do i=1,nres thetaref(i)=theta(i) phiref(i)=phi(i)