X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Fprobabl.F;h=9c21be3dc84be1bcbd64bb9e4524c061dcf421cb;hb=a09fdb5f3686a0c1242c8dd3b6dfadf0d3678aaf;hp=64e8c505cabe40df80c76fb6a9e1a8eb16130d1e;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/cluster/wham/src/probabl.F b/source/cluster/wham/src/probabl.F index 64e8c50..9c21be3 100644 --- a/source/cluster/wham/src/probabl.F +++ b/source/cluster/wham/src/probabl.F @@ -102,9 +102,13 @@ c write (iout,*) "i",i," ii",ii call int_from_cart1(.false.) call etotal(energia(0),fT) totfree(i)=energia(0) +#define DEBUG #ifdef DEBUG - write (iout,*) i," energia",(energia(j),j=0,19) +c write (iout,*) i," energia",(energia(j),j=0,n_ene) + call enerprint(energia(0),ft) + call flush(iout) #endif +#undef DEBUG do k=1,max_ene enetb(k,i)=energia(k) enddo