X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fmain_clust.F;h=650250e2ba185b70090e02369b962a7d5b218fd1;hb=ae2f9918e1e5f88a78cc32b1d3a7ff90dede1207;hp=be5e3640a75e8e35f47853cee9fef930e779ded0;hpb=db2040af09e73f3fc871158afe11ee242ec6cfb1;p=unres4.git diff --git a/source/cluster/main_clust.F b/source/cluster/main_clust.F index be5e364..650250e 100644 --- a/source/cluster/main_clust.F +++ b/source/cluster/main_clust.F @@ -129,7 +129,7 @@ c call flush(iout) #endif call probabl(iT,ncon_work,ncon,*20) - + write(iout,*) "after probabl" if (ncon_work.lt.2) then write (iout,*) "Too few conformations; clustering skipped" exit @@ -138,6 +138,7 @@ c call flush(iout) ndis=ncon_work*(ncon_work-1)/2 call work_partition(.true.,ndis) #endif + write(iout,*) "after work partition" DO I=1,NCON_work ICC(I)=I @@ -148,6 +149,7 @@ C C CALCULATE DISTANCES C call daread_ccoords(1,ncon_work) + write(iout,*) "after daread_ccords" ind1=0 DO I=1,NCON_work-1 if (mod(i,100).eq.0) print *,'Calculating RMS i=',i