X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2Fenergy_p_new.F;h=bd6977495aa3ce751c76f412f9a842c09227e5b6;hb=fd10e81284102e5a8466e05c87f0202979a2f00b;hp=835045b06f06b3407fc92c42d4685247f223f4a2;hpb=15cbe2fc81082e6828fa504b3b22499600134b54;p=unres.git

diff --git a/source/wham/src-HCD/energy_p_new.F b/source/wham/src-HCD/energy_p_new.F
index 835045b..bd69774 100644
--- a/source/wham/src-HCD/energy_p_new.F
+++ b/source/wham/src-HCD/energy_p_new.F
@@ -20,6 +20,7 @@ cMS$ATTRIBUTES C ::  proc_proc
       include 'COMMON.SHIELD'
       include 'COMMON.CONTROL'
       include 'COMMON.TORCNSTR'
+      include 'COMMON.SAXS'
       double precision fact(6)
 c      write(iout, '(a,i2)')'Calling etotal ipot=',ipot
 c      call flush(iout)
@@ -179,12 +180,16 @@ c      write(iout,*) "TEST_ENE1 constr_homology=",constr_homology
 c      write(iout,*) "TEST_ENE1 ehomology_constr=",ehomology_constr
 #ifdef DFA
 C     BARTEK for dfa test!
+      edfadis=0.0d0
       if (wdfa_dist.gt.0) call edfad(edfadis)
 c      write(iout,*)'edfad is finished!', wdfa_dist,edfadis
+      edfator=0.0d0
       if (wdfa_tor.gt.0) call edfat(edfator)
 c      write(iout,*)'edfat is finished!', wdfa_tor,edfator
+      edfanei=0.0d0
       if (wdfa_nei.gt.0) call edfan(edfanei)
 c      write(iout,*)'edfan is finished!', wdfa_nei,edfanei
+      edfabet=0.0d0
       if (wdfa_beta.gt.0) call edfab(edfabet)
 c      write(iout,*)'edfab is finished!', wdfa_beta,edfabet
 #endif