X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Finitialize_p.F;h=369e6bcc2d97e6ea13af46349982b42b39381d99;hb=4510e7a28accbbc6f70a49b69e5e01f43b1068a9;hp=ea446f71f86f8febc4386c4b083ac0e1b96f8136;hpb=73ca05fce4b785367bd9600c24a7f026feff14bf;p=unres.git

diff --git a/source/unres/src_MD/initialize_p.F b/source/unres/src_MD/initialize_p.F
index ea446f7..369e6bc 100644
--- a/source/unres/src_MD/initialize_p.F
+++ b/source/unres/src_MD/initialize_p.F
@@ -562,6 +562,7 @@ C Partition local interactions
       call int_bounds(nres-2,ithet_start,ithet_end)
       ithet_start=ithet_start+2
       ithet_end=ithet_end+2
+      write (iout,*) "ithet_start",ithet_start," ithet_end",ithet_end
       call int_bounds(nct-nnt-2,iturn3_start,iturn3_end) 
       iturn3_start=iturn3_start+nnt
       iphi_start=iturn3_start+2
@@ -1409,10 +1410,10 @@ c------------------------------------------------------------------------------
       include 'COMMON.CONTROL'
       include 'COMMON.MD'
       include 'COMMON.INTERACT'
-      write(iout,*)"homology_partition: lim_odl=",lim_odl,
-     &   " lim_dih",lim_dih
+cd      write(iout,*)"homology_partition: lim_odl=",lim_odl,
+cd     &   " lim_dih",lim_dih
 #ifdef MPI
-      write (iout,*) "MPI"
+      if (me.eq.king .or. .not. out1file) write (iout,*) "MPI"
       call int_bounds(lim_odl,link_start_homo,link_end_homo)
       call int_bounds(lim_dih-nnt+1,idihconstr_start_homo,
      &  idihconstr_end_homo)