X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenergy_p_new.F;h=0e50c7f00151b05edb9e450bdc686f007104c99c;hb=147d86ad190bc360fa4b0c9a4c7d6858070c506f;hp=4cd38199de91e17b311e179bcd409e97e0dc85ff;hpb=ce876d8e106475d6cf7684c287eda53aeb15ca2f;p=unres.git

diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F
index 4cd3819..0e50c7f 100644
--- a/source/wham/src/energy_p_new.F
+++ b/source/wham/src/energy_p_new.F
@@ -116,13 +116,29 @@ c      write(iout,*) "TEST_ENE1 constr_homology=",constr_homology
 c      write(iout,*) "TEST_ENE1 ehomology_constr=",ehomology_constr
 
 C     BARTEK for dfa test!
-      if (wdfa_dist.gt.0) call edfad(edfadis)
+      if (wdfa_dist.gt.0) then
+        call edfad(edfadis)
+      else
+        edfadis=0.0d0
+      endif
 c      write(iout,*)'edfad is finished!', wdfa_dist,edfadis
-      if (wdfa_tor.gt.0) call edfat(edfator)
+      if (wdfa_tor.gt.0) then
+        call edfat(edfator)
+      else
+        edfator=0.0d0
+      endif
 c      write(iout,*)'edfat is finished!', wdfa_tor,edfator
-      if (wdfa_nei.gt.0) call edfan(edfanei)
+      if (wdfa_nei.gt.0) then
+        call edfan(edfanei)
+      else
+        edfanei=0.0d0
+      endif
 c      write(iout,*)'edfan is finished!', wdfa_nei,edfanei
-      if (wdfa_beta.gt.0) call edfab(edfabet)
+      if (wdfa_beta.gt.0) then
+        call edfab(edfabet)
+      else
+        edfabet=0.0d0
+      endif
 c      write(iout,*)'edfab is finished!', wdfa_beta,edfabet
 
 c      write (iout,*) "ft(6)",fact(6)," evdw",evdw," evdw_t",evdw_t