working cluster for nano parameters

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

diff --git a/source/cluster/wham/src-M/probabl.F b/source/cluster/wham/src-M/probabl.F
index 67341dd..4af79ea 100644 (file)
--- a/source/cluster/wham/src-M/probabl.F
+++ b/source/cluster/wham/src-M/probabl.F
@@ -154,7 +154,7 @@ c          call pdbout(totfree(i),16,i)
 #ifdef DEBUG
           write (iout,*) i," energia",(energia(j),j=0,max_ene)
           write (iout,*) "etot", etot
-          write (iout,*) "ft(6)", ft(6)
+          write (iout,*) "ft(6)", ft(6),energia(25)
 #endif
 #undef DEBUG
           do k=1,max_ene
@@ -225,11 +225,13 @@ c#endif
         Fdimless_buf(i)=Fdimless(i)
         totfree(i)=etot
         totfree_buf(i)=totfree(i)
+#define DEBUG
 #ifdef DEBUG
         write (iout,*) "fdim calc", i,ii,ib,
      &   1.0d0/(1.987d-3*beta_h(ib)),totfree(i),
      &   entfac(ii),Fdimless(i)
 #endif
+#undef DEBUG
       enddo   ! i
 
       do ijk=1,maxconf