X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fgeomout.F;h=ac2c75922128ff14f08190c9b445cc6ecd780552;hb=c3d632cf84fd647434c093cb3fd69ea605293f75;hp=df698f50a92d224cdd7187176245440f61665a68;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git diff --git a/source/unres/src_MD/geomout.F b/source/unres/src_MD/geomout.F index df698f5..ac2c759 100644 --- a/source/unres/src_MD/geomout.F +++ b/source/unres/src_MD/geomout.F @@ -461,7 +461,7 @@ c----------------------------------------------------------------- & (utheta(i),ugamma(i),uscdiff(i),i=1,nfrag_back) write(format2,'(a1,i3.3)') "a",23+7*nfrag+7*npair & +21*nfrag_back - elseif(hremd.gt.0) then + elseif(hremd.gt.0.or.homol_nset.gt.1) then write(line2,'(i5)') iset format2="a005" else @@ -471,12 +471,12 @@ c----------------------------------------------------------------- if (print_compon) then if(itime.eq.0) then write(format,'(a1,a4,a1,a4,a10)') "(",format1,",",format2, - & ",20a12)" + & ",100a12)" write (istat,format) "#","", & (ename(print_order(i)),i=1,nprint_ene) endif write(format,'(a1,a4,a1,a4,a10)') "(",format1,",",format2, - & ",20f12.3)" + & ",100f12.3)" write (istat,format) line1,line2, & (potEcomp(print_order(i)),i=1,nprint_ene) else