X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fmolread_zs.F;h=61609f1ae6f4bb5f8cc1fe074882813ffa0ec1b9;hb=40afbf4de19179c57d5b0ba9611e46bdf2a571a3;hp=5f2a4de7d7d49059f9c425bf928226577dcf2a7a;hpb=c12d63759a6170bb02440ae6905db6c0b2a43237;p=unres.git diff --git a/source/wham/src/molread_zs.F b/source/wham/src/molread_zs.F index 5f2a4de..61609f1 100644 --- a/source/wham/src/molread_zs.F +++ b/source/wham/src/molread_zs.F @@ -375,7 +375,7 @@ c------------------------------------------------------------------------------- integer ifrag_(2,100),ipair_(2,100) double precision wfrag_(100),wpair_(100) character*500 controlcard -c write (iout,*) "Calling read_dist_constr" + write (iout,*) "Calling read_dist_constr",constr_dist c write (iout,*) "nres",nres," nstart_sup",nstart_sup," nsup",nsup c call flush(iout) call card_concat(controlcard,.true.) @@ -471,8 +471,14 @@ c write (iout,*) i,ifrag_(1,i),ifrag_(2,i),wfrag_(i) endif enddo do i=1,ndist_ + if (constr_dist.eq.11) then + read (inp,*) ihpb(nhpb+1),jhpb(nhpb+1),dhpb(i),dhpb1(i), + & ibecarb(i),forcon(nhpb+1),fordepth(nhpb+1) + fordepth(nhpb+1)=fordepth(nhpb+1)/forcon(nhpb+1) + else read (inp,*) ihpb(nhpb+1),jhpb(nhpb+1),dhpb(i),dhpb1(i), & ibecarb(i),forcon(nhpb+1) + endif if (forcon(nhpb+1).gt.0.0d0) then nhpb=nhpb+1 if (ibecarb(i).gt.0) then @@ -484,8 +490,14 @@ c write (iout,*) i,ifrag_(1,i),ifrag_(2,i),wfrag_(i) endif enddo do i=1,nhpb + if (constr_dist.eq.11) then + write (iout,'(a,3i5,2f8.2,i2,2f10.1)') "+dist.constr11 ", + & i,ihpb(i),jhpb(i),dhpb(i),dhpb1(i),ibecarb(i),forcon(i), + & fordepth(i) + else write (iout,'(a,3i5,2f8.2,i2,f10.1)') "+dist.constr ", & i,ihpb(i),jhpb(i),dhpb(i),dhpb1(i),ibecarb(i),forcon(i) + endif enddo call flush(iout) return