X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Freadrtns.F;h=ae8f8a84569ef8c3ef80516c4552c9397f4f366b;hb=ed4fb866872e888d13720659f0348931479ebd0a;hp=889532655324383ca496eb4dd93ee612300dbf3a;hpb=f4f89681205abc4783a7e5113a2dc1cc4a76bfcd;p=unres.git diff --git a/source/cluster/wham/src-M/readrtns.F b/source/cluster/wham/src-M/readrtns.F index 8895326..ae8f8a8 100644 --- a/source/cluster/wham/src-M/readrtns.F +++ b/source/cluster/wham/src-M/readrtns.F @@ -1103,7 +1103,7 @@ c tpl_k_rescore="template"//kic2//".sco" unres_pdb=.false. - call readpdb + call readpdb_template(k) do i=1,2*nres do j=1,3 crefjlee(j,i)=c(j,i) @@ -1347,8 +1347,13 @@ 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)