Adam's 5D respa update

[unres.git] / source / unres / src-HCD-5D / energy_split-sep.F

diff --git a/source/unres/src-HCD-5D/energy_split-sep.F b/source/unres/src-HCD-5D/energy_split-sep.F
index 1b033a5..f16bc1b 100644 (file)
--- a/source/unres/src-HCD-5D/energy_split-sep.F
+++ b/source/unres/src-HCD-5D/energy_split-sep.F
@@ -127,7 +127,17 @@ c      write (iout,*) 'Processor',myrank,
 c     &  ' calling etotal_short ipot=',ipot
 c      call flush(iout)
 c      print *,'Processor',myrank,' nnt=',nnt,' nct=',nct
+      if (nfgtasks.gt.1) then
+        call MPI_Bcast(itime_mat,1,MPI_INT,king,FG_COMM,IERROR)
+      endif
+      if (mod(itime_mat,imatupdate).eq.0) then
+        call make_SCp_inter_list
+        call make_SCSC_inter_list
+        call make_pp_inter_list
+        call make_pp_vdw_inter_list
+      endif
 #endif     
+
 cd    print *,'nnt=',nnt,' nct=',nct
 C
 C Compute the side-chain and electrostatic interaction energy