X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fgeomout.F;h=94fd7d747970e7f17d4f59908e31c2c5553a200b;hb=bdca888f15f307eb56c89e9dfedd2d92f017a504;hp=a5c6f96ac42ea2885f405a9b240c9b0114a414fa;hpb=b847bacd7f528a68d640b3d58d4f5b9ce3c6ede2;p=unres.git

diff --git a/source/unres/src_MD/geomout.F b/source/unres/src_MD/geomout.F
index a5c6f96..94fd7d7 100644
--- a/source/unres/src_MD/geomout.F
+++ b/source/unres/src_MD/geomout.F
@@ -9,7 +9,7 @@
       include 'COMMON.SBRIDGE'
       include 'COMMON.DISTFIT'
       include 'COMMON.MD'
-      character*50 tytul
+      character*(*) tytul
       dimension ica(maxres)
       write (iunit,'(3a,1pe15.5)') 'REMARK ',tytul,' ENERGY ',etot
 cmodel      write (iunit,'(a5,i6)') 'MODEL',1
@@ -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