X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fenecalc1.F;h=4fb7c9da98b3a7872c068b2f71b3fdebfb9f5fea;hb=afec4447f4d195291d203d2217f242f20812a3e3;hp=a2347d357ce010c190fdfd414d809e2fdfd0aed4;hpb=7006db11d703450fb82ce20cfc53f74614334362;p=unres.git

diff --git a/source/wham/src-M/enecalc1.F b/source/wham/src-M/enecalc1.F
index a2347d3..4fb7c9d 100644
--- a/source/wham/src-M/enecalc1.F
+++ b/source/wham/src-M/enecalc1.F
@@ -174,7 +174,7 @@ c     &   " waga_homology",waga_homology(iset)
         write (iout,*) "temp", temp
         call pdbout(i,temp,energia(0),energia(0),0.0d0,0.0d0)
 #endif
-        if (energia(0).ge.1.0d20) then
+        if (energia(0).ge.1.0d6) then
           write (iout,*) "NaNs detected in some of the energy",
      &     " components for conformation",ii+1
           write (iout,*) "The Cartesian geometry is:"