X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fgeomout.F;h=77d342e855dd9c96d97be86df903bbc552010e49;hb=c7a96454a5265471d175bbe066071ac41c8b55c3;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..77d342e 100644
--- a/source/unres/src_MD/geomout.F
+++ b/source/unres/src_MD/geomout.F
@@ -268,6 +268,7 @@ c----------------------------------------------------------------
       include 'COMMON.DISTFIT'
       include 'COMMON.MD'
       double precision time
+      write (iout,*) "cartout: cartname ",cartname
 #if defined(AIX) || defined(PGI)
       open(icart,file=cartname,position="append")
 #else
@@ -461,7 +462,7 @@ 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 +472,12 @@ 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