X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2Fprobabl.F;h=40791a30bda78c77a7311fd8b53273bde1fffbb9;hb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;hp=a3a664b3c4b795679de889dbb9249cdff19b63a3;hpb=32caa3b64eb94b90fa9fd402b77263ea89efffa1;p=unres.git diff --git a/source/cluster/wham/src-HCD/probabl.F b/source/cluster/wham/src-HCD/probabl.F index a3a664b..40791a3 100644 --- a/source/cluster/wham/src-HCD/probabl.F +++ b/source/cluster/wham/src-HCD/probabl.F @@ -152,6 +152,8 @@ c call pdbout(totfree(i),16,i) c call flush(iout) #ifdef DEBUG write (iout,*) "conformation", i + write (iout,'(8f10.5)') ((c(l,k),l=1,3),k=1,nres), + & ((c(l,k+nres),l=1,3),k=nnt,nct) call enerprint(energia(0),fT) #endif etot=energia(0)