Added directory analysis to compute teperature-averaged number of contacts, etc.

[unres.git] / source / wham / src-M / enecalc1.F

diff --git a/source/wham/src-M/enecalc1.F b/source/wham/src-M/enecalc1.F
index 81668b5..8a52e49 100644 (file)
--- a/source/wham/src-M/enecalc1.F
+++ b/source/wham/src-M/enecalc1.F
@@ -160,12 +160,15 @@ c     &   " kfac",kfac,"quot",quot," fT",fT
 C        write (iout,*) "tuz przed energia"
         call etotal(energia(0),fT)
 C        write (iout,*) "tuz za energia"
-
+#define DEBUG
 #ifdef DEBUG
         write (iout,*) "Conformation",i
           write (iout,'(8f10.5)') ((c(l,k),l=1,3),k=1,nres)
           write (iout,'(8f10.5)') ((c(l,k+nres),l=1,3),k=nnt,nct)
         call enerprint(energia(0),fT)
+#endif
+#undef DEBUG
+#ifdef DEBUG
         write (iout,'(2i5,21f8.2)') i,iparm,(energia(k),k=1,21)
         write (iout,*) "ftors",ftors
         call briefout(i,energia(0))