X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M-SAXS-homology%2Fmake_ensemble1.F;h=a07dbebfe8f8295032ba063440dda1b973dbc1bb;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=74868c71eeddf8049e1e56300017d5e2028659de;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/wham/src-M-SAXS-homology/make_ensemble1.F b/source/wham/src-M-SAXS-homology/make_ensemble1.F index 74868c7..a07dbeb 100644 --- a/source/wham/src-M-SAXS-homology/make_ensemble1.F +++ b/source/wham/src-M-SAXS-homology/make_ensemble1.F @@ -11,6 +11,7 @@ #endif include "COMMON.IOUNITS" include "COMMON.CONTROL" + include "COMMON.HOMOLOGY" include "COMMON.FREE" include "COMMON.ENERGIES" include "COMMON.FFIELD" @@ -370,6 +371,7 @@ c write (iout,*) "qfree",qfree & ctemper(:ilen(ctemper))//"pdb" endif open(ipdb,file=pdbname) + write (iout,*) "Before reading nlist",nlist do i=1,nlist read (ientout,rec=iperm(i)) & ((csingle(l,k),l=1,3),k=1,nres),