restoring read2sigma code after wrong merge

[unres.git] / source / unres / src_MD / initialize_p.F

diff --git a/source/unres/src_MD/initialize_p.F b/source/unres/src_MD/initialize_p.F
index ea446f7..369e6bc 100644 (file)
--- 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)