X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA%2Finitialize_p.F;h=d2d8f9a66e3e1cf2f86660280792857252626c93;hb=37982ff2ef784ba689f3f1c1cbf3337d9daa0cd9;hp=5cbf7d18200c3f1997a645310e76d5b8cf1f05c1;hpb=65d3fa33ada0d14eb15352d1e95d43cbdbfa0526;p=unres.git

diff --git a/source/unres/src_CSA/initialize_p.F b/source/unres/src_CSA/initialize_p.F
index 5cbf7d1..d2d8f9a 100644
--- a/source/unres/src_CSA/initialize_p.F
+++ b/source/unres/src_CSA/initialize_p.F
@@ -293,8 +293,8 @@ c---------------------------------------------------------------------------
       include 'COMMON.IOUNITS'
       include 'COMMON.DERIV'
       include 'COMMON.CONTACTS'
-      common /przechowalnia/ iturn3_start_all(0:max_fg_proc),
-     & iturn3_end_all(0:max_fg_procs),iturn4_start_all(0:max_fg_proc),
+      common /przechowalnia/ iturn3_start_all(0:max_fg_procs),
+     & iturn3_end_all(0:max_fg_procs),iturn4_start_all(0:max_fg_procs),
      & iturn4_end_all(0:max_fg_procs),iatel_s_all(0:max_fg_procs),
      &iatel_e_all(0:max_fg_procs),ielstart_all(maxres,0:max_fg_procs-1),
      & ielend_all(maxres,0:max_fg_procs-1),
@@ -565,6 +565,9 @@ C Partition local interactions
       iphi_end=iturn3_end+2
       iturn3_start=iturn3_start-1
       iturn3_end=iturn3_end-1
+      call int_bounds(nres-3,itau_start,itau_end)
+      itau_start=itau_start+3
+      itau_end=itau_end+3
       call int_bounds(nres-3,iphi1_start,iphi1_end)
       iphi1_start=iphi1_start+3
       iphi1_end=iphi1_end+3
@@ -1091,6 +1094,8 @@ c        write (iout,*) "MPI_ROTAT2",MPI_ROTAT2
       idihconstr_end=ndih_constr
       iphid_start=iphi_start
       iphid_end=iphi_end-1
+      itau_start=4
+      itau_end=nres
       ibond_start=2
       ibond_end=nres-1
       ibondp_start=nnt+1
@@ -1113,7 +1118,7 @@ c---------------------------------------------------------------------------
       include "COMMON.SETUP"
       include "COMMON.IOUNITS"
       integer ii,jj,itask(4),ntask_cont_to,
-     & itask_cont_to(0:max_fg_proc-1)
+     & itask_cont_to(0:max_fg_procs-1)
       logical flag
       integer iturn3_start_all,iturn3_end_all,iturn4_start_all,
      & iturn4_end_all,iatel_s_all,iatel_e_all,ielstart_all,ielend_all