X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD%2Fenergy_split-sep.F;h=9d0b82f7b57e9a17dea221b9a910759c6d7fed1a;hb=1d656a815651f26cc5ccb9ccf24d66cbbae2a048;hp=f40b7af001c26177eb2e61591373288d5f854983;hpb=6fbdc50f5dac8c3fdb6396ebc32b08452de29a6f;p=unres.git

diff --git a/source/unres/src_MD/energy_split-sep.F b/source/unres/src_MD/energy_split-sep.F
index f40b7af..9d0b82f 100644
--- a/source/unres/src_MD/energy_split-sep.F
+++ b/source/unres/src_MD/energy_split-sep.F
@@ -264,7 +264,12 @@ cMS$ATTRIBUTES C ::  proc_proc
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'
       include 'COMMON.CONTROL'
-
+#ifndef DFA
+      edfadis=0.0d0
+      edfator=0.0d0
+      edfanei=0.0d0
+      edfabet=0.0d0
+#endif
 c      write(iout,'(a,i2)')'Calling etotal_short ipot=',ipot
 c      call flush(iout)
       if (modecalc.eq.12.or.modecalc.eq.14) then
@@ -396,7 +401,7 @@ C
 C Calculate electrostatic (H-bonding) energy of the main chain.
 C
   107 continue
-
+#ifdef DFA
 C     BARTEK for dfa test!
       if (wdfa_dist.gt.0) then 
          call edfad(edfadis)
@@ -422,6 +427,7 @@ c      print*, 'edfan is finished!', edfanei
          edfabet=0.0
       endif
 c      print*, 'edfab is finished!', edfabet
+#endif
 c
 c Calculate the short-range part of Evdwpp
 c