X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdock%2F2WFU_dock.inp;fp=ctest%2Fdock%2F2WFU_dock.inp;h=33c3ab296b7772ba979b150d59d689f07e8ae428;hb=d65cebcb1758aca87b35005f315f98494727d25e;hp=9f01a030fcaba1e94338ab5c6f586e7c7a8d8db5;hpb=8e16c7e587ad1b9294699dd9377f67a31c295130;p=unres.git diff --git a/ctest/dock/2WFU_dock.inp b/ctest/dock/2WFU_dock.inp index 9f01a03..33c3ab2 100644 --- a/ctest/dock/2WFU_dock.inp +++ b/ctest/dock/2WFU_dock.inp @@ -1,7 +1,7 @@ 2wfu UNRES-Dock test SEED=-77763650 pdbstart re one_letter BOXX=78.90 & BOXY=78.90 BOXZ=78.90 CONSTR_HOMOL=8 pdbref - reset_vel=1000 nstep=200000 ntwe=1000 ntwx=1000 dt=0.2 lang=1 & + reset_vel=1000 nstep=100000 ntwe=1000 ntwx=1000 dt=0.2 lang=1 & scal_fric=0.02 preminim cart print_min_ini print_min_res print_min_stat maxfun=15000 nrep=8 nstex=1000 tlist mlist sync nsyn=1000 traj1file rest1file &