X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2FUNRES-Dock%2Fwham_example.inp;fp=examples%2FUNRES-Dock%2Fwham_example.inp;h=0394217a1f89653abd721b01abd6e14768850879;hb=018446aca1e32faf80f41e818acbfc61e5d872c9;hp=e311d226b7a079ba5f709aba636afc775f0cfd87;hpb=88d4f45c783f3644ff7ae49572b7b609ef3c9617;p=unres.git diff --git a/examples/UNRES-Dock/wham_example.inp b/examples/UNRES-Dock/wham_example.inp index e311d22..0394217 100644 --- a/examples/UNRES-Dock/wham_example.inp +++ b/examples/UNRES-Dock/wham_example.inp @@ -60,6 +60,6 @@ NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 -nfile_cx=1 rec_start=50 rec_end=100 totraj=12 -./dimer_MD000 +nfile_cx=1 rec_start=BBB rec_end=CCC totraj=24 +./unres_dock_MD000