X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fnewcorr%2F1L2Y_wham.inp;h=2a4b0aed72710cc4dde8192a9592e66898ffa65f;hb=0ea7c642634cc4072d680200667850960ea0c820;hp=e339e3485a2fa0748229b79bee8ff52f657a5abf;hpb=ddf6e45a2a12e9c67430277cb4fa63d6db3be946;p=unres.git diff --git a/ctest/newcorr/1L2Y_wham.inp b/ctest/newcorr/1L2Y_wham.inp index e339e34..2a4b0ae 100644 --- a/ctest/newcorr/1L2Y_wham.inp +++ b/ctest/newcorr/1L2Y_wham.inp @@ -1,4 +1,4 @@ -SEED=-3059743 n_ene=19 isampl=1 nparmset=1 nq=1 einicheck=1 tormode=2 & +SEED=-3059743 isampl=1 nparmset=1 nq=1 einicheck=1 tormode=2 & rescale=2 ensembles=0 nslice=1 delta=0.02 refstr pdbref classify cxfile nres=22 one_letter XNLYIQWLKDGGPSSGRPPPSX