distance constraint energy calculation in wham

[unres4.git] / source / wham / wham.F90

diff --git a/source/wham/wham.F90 b/source/wham/wham.F90
index fcf1d15..78304d8 100644 (file)
--- a/source/wham/wham.F90
+++ b/source/wham/wham.F90
@@ -15,7 +15,7 @@
       use mpi_data
 !      use mpi_
 #endif
-      use control, only:initialize
+      use control, only:initialize,hpb_partition
 !el      use io_config, only:parmread
 !
 #ifndef ISNAN
@@ -129,7 +129,10 @@
 !write(iout,*)"before proc_cont, define frag"
         call proc_cont
         call fragment_list
-        if (constr_dist.gt.0) call read_dist_constr
+      endif
+      if (constr_dist.gt.0) then 
+         call read_dist_constr
+         call hpb_partition
       endif
       write (iout,*) "Begin read_database"
       call flush(iout)