wham gfortran single chain corrections

[unres.git] / source / wham / src / energy_p_new.F

diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F
index 4cd3819..0e50c7f 100644 (file)
--- 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