X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdock%2Fwham.inp;fp=ctest%2Fdock%2Fwham.inp;h=66a0ab0e22e5d7dab0635397e023f719bf2e5f65;hb=d65cebcb1758aca87b35005f315f98494727d25e;hp=1b83d17e2ef8cbd8a3b49c5c5faca287ee0bdbc1;hpb=8e16c7e587ad1b9294699dd9377f67a31c295130;p=unres.git diff --git a/ctest/dock/wham.inp b/ctest/dock/wham.inp index 1b83d17..66a0ab0 100644 --- a/ctest/dock/wham.inp +++ b/ctest/dock/wham.inp @@ -38,7 +38,7 @@ nr=1 temp=330 fi=0.0 0.0 0.0 0.0 0.0 kh= 0.0 Q0=0.0 nr=1 temp=345 fi=0.0 0.0 0.0 0.0 0.0 kh= 0.0 Q0=0.0 -nfile_cx=1 rec_start=50 rec_end=500 totraj=8 +nfile_cx=1 rec_start=51 rec_end=100 totraj=8 2WFU_dock_MD000 pdbref plik1ter.pdb