X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Freadrtns.F;h=fac2508c7a638464a9ad2f473198e1f7c4cfd998;hb=3b61bfd130e2e2ecac595c7eee8a8858228862ff;hp=983a69126681de1194f5ffc0dff8522960d9a75d;hpb=107ad1479c841e0b44ead7c961c78ca528be291c;p=unres.git diff --git a/source/cluster/wham/src/readrtns.F b/source/cluster/wham/src/readrtns.F index 983a691..fac2508 100644 --- a/source/cluster/wham/src/readrtns.F +++ b/source/cluster/wham/src/readrtns.F @@ -880,8 +880,14 @@ c call flush(iout) 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 @@ -893,8 +899,14 @@ c call flush(iout) 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 #ifdef AIX call flush_(iout) @@ -1291,8 +1303,13 @@ c liiflag=.false. iistart=ii endif - if (ii_in_use(ii).ne.0.and..not.liiflag) then - iishift=ii-iistart + if (ii_in_use(ii).ne.0.and..not.liiflag.or. + & .not.liiflag.and.ii.eq.lim_odl) then + if (ii.eq.lim_odl) then + iishift=ii-iistart+1 + else + iishift=ii-iistart + endif liiflag=.true. do ki=iistart,lim_odl-iishift ires_homo(ki)=ires_homo(ki+iishift)