X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Ffragments%2Fklapaucjusz-longest.f;h=27fe80882603219075f3570109fde8cab06bb99a;hb=b53833b8c1e2f00de0d8ede0008b67cbe0b4d776;hp=8aa3f811c81c755be71aed3fc51977464e3d8d1e;hpb=173eeeffac1b4b8fb8a368ddd432df8a038fc980;p=unres.git diff --git a/source/fragments/klapaucjusz-longest.f b/source/fragments/klapaucjusz-longest.f index 8aa3f81..27fe808 100644 --- a/source/fragments/klapaucjusz-longest.f +++ b/source/fragments/klapaucjusz-longest.f @@ -1,8 +1,8 @@ - parameter (maxmodel=20) + parameter (maxmodel=50) parameter (maxres=1000) parameter (maxclust=1000) character*32 model(maxmodel) - integer imodel(maxmodel) + integer imodel(maxmodel),iindex(maxmodel) integer ifragpair(maxres,maxmodel,maxmodel), & ifragpair_new(maxres,maxmodel,maxmodel), & iflag(maxres),isumfmax(maxmodel),kmax(maxmodel), @@ -53,12 +53,13 @@ do i=1,nmodel do j=1,nmodel if (i.eq.j) cycle - read(*,'(a32,33x,1000i1)')model(i),(ifragpair(k,i,j),k=1,nres) + print *,"i",i," j",j + read(*,'(a32,32x,1000i2)')model(i),(ifragpair(k,i,j),k=1,nres) enddo enddo do i=1,nmodel do j=i+1,nmodel - write(*,'(2a32,1000i1)')model(i),model(j), + write(*,'(2a32,1000i2)')model(i),model(j), & (ifragpair(k,i,j),k=1,nres) enddo enddo @@ -299,13 +300,19 @@ c print *,k enddo c Write model information write(2,'(i5)') nmodel_out,nclust + ii=0 + iindex=0 do i=1,nmodel - if (imodelclust(i).eq.1) write(2,'(a32)') model(i) + if (imodelclust(i).eq.1) then + ii=ii+1 + write(2,'(a32)') model(i) + iindex(i)=ii + endif enddo c Write cluster information do i=1,nclust write(2,'(2i5)') ninclust(i),nlenclust(i) - write(2,'(16i5)') (icluster(k,i),k=1,ninclust(i)) + write(2,'(16i5)') (iindex(icluster(k,i)),k=1,ninclust(i)) write(2,'(16i5)') (ifrag(k,i),k=1,nlenclust(i)) enddo end