X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=ctest%2Fdock_newcorr%2Fwham.inp;h=ecb35756cc6ab5b1e9f05baa729cb273bbb03ea2;hb=fb796f6ccc7879c3ae3d07e87499aaa430469deb;hp=0369f4de56b435b8ace55aee2c180e3154e684e7;hpb=c2dd27cc9bb81bf584cd33ed081642fa8ff0f582;p=unres.git diff --git a/ctest/dock_newcorr/wham.inp b/ctest/dock_newcorr/wham.inp index 0369f4d..ecb3575 100644 --- a/ctest/dock_newcorr/wham.inp +++ b/ctest/dock_newcorr/wham.inp @@ -1,6 +1,6 @@ isampl=1 & SEED=-77763650 einicheck=1 rescale=2 delta=0.02 cxfile classify & - n_ene=19 CONSTR_HOMOL=8 tormode=2 & + CONSTR_HOMOL=8 tormode=2 & BOXX=78.90 BOXY=78.90 BOXZ=78.90 nres=49 one_letter GVVDSCCRNSCSFSTLRAYCDSXXNSLRACGPALMDMLRVACPNGFNSX