X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Funres.F;h=9ddf3314e56347bd9ef8f48afe4d58b7b8040c24;hb=2613142be7b5226fb002eaceb389e3f26766aa65;hp=053eec6ee1dacbd2eeffa4142d752ce3fb9a5c6f;hpb=d209eee3dec438628ee9d5a9c990ad9ca9dec1c5;p=unres.git

diff --git a/source/unres/src_MD/unres.F b/source/unres/src_MD/unres.F
index 053eec6..9ddf331 100644
--- a/source/unres/src_MD/unres.F
+++ b/source/unres/src_MD/unres.F
@@ -287,8 +287,8 @@ crc overlap test
         if (refstr) call rms_nac_nnc(rms,frac,frac_nn,co,.true.)
         call briefout(0,etot)
       endif
-      if (outpdb) call pdbout(etot,titel(:32),ipdb)
-      if (outmol2) call mol2out(etot,titel(:32))
+      if (outpdb) call pdbout(etot,titel(:50),ipdb)
+      if (outmol2) call mol2out(etot,titel(:50))
       return
       end
 c---------------------------------------------------------------------------
@@ -325,8 +325,8 @@ c---------------------------------------------------------------------------
       call enerprint(energy(0))
       call intout
       call briefout(0,etot)
-      if (outpdb) call pdbout(etot,titel(:32),ipdb)
-      if (outmol2) call mol2out(etot,titel(:32))
+      if (outpdb) call pdbout(etot,titel(:50),ipdb)
+      if (outmol2) call mol2out(etot,titel(:50))
       if (refstr) call rms_nac_nnc(rms,frac,frac_nn,co,.true.)
       write (iout,'(a,i3)') 'SUMSL return code:',iretcode
       return