X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenecalc1.F;h=4b9414d893443c9a75288694bdbb1d355bbe33fa;hb=a09fdb5f3686a0c1242c8dd3b6dfadf0d3678aaf;hp=857aec0e6d6d145213f66df3b4cf81023f5b8210;hpb=5467f8060e885151d3415a9897913776c337d88a;p=unres.git

diff --git a/source/wham/src/enecalc1.F b/source/wham/src/enecalc1.F
index 857aec0..4b9414d 100644
--- a/source/wham/src/enecalc1.F
+++ b/source/wham/src/enecalc1.F
@@ -153,6 +153,7 @@ c     &   " kfac",kfac,"quot",quot," fT",fT
      &      wtor_d,wsccor,wbond
 #endif
         call etotal(energia(0),fT)
+#define DEBUG
 #ifdef DEBUG
         write (iout,*) "Conformation",i
         call enerprint(energia(0),fT)
@@ -160,6 +161,7 @@ c        write (iout,'(2i5,21f8.2)') i,iparm,(energia(k),k=1,21)
 c        write (iout,*) "ftors",ftors
 c        call intout
 #endif
+#undef DEBUG
         if (energia(0).ge.1.0d20) then
           write (iout,*) "NaNs detected in some of the energy",
      &     " components for conformation",ii+1