X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdfa%2Fremd_dfa.inp;h=33a22347c65707d865d43f3fc53b773b21ef1355;hb=b0b2c84acad12a1d979380324a23283282aaa48a;hp=3c61a124e1b69f4aff0afe3895b966deaf011c2d;hpb=3a6c6a2663a9647269e63106ffa3b9dc9a437027;p=unres.git diff --git a/ctest/dfa/remd_dfa.inp b/ctest/dfa/remd_dfa.inp index 3c61a12..33a2234 100644 --- a/ctest/dfa/remd_dfa.inp +++ b/ctest/dfa/remd_dfa.inp @@ -3,7 +3,7 @@ SEED=-3059743 RE rescale_mode=2 one_letter PDBSTART timlim=2800.0 & CONSTR_HOMOL=8 PDBREF REFSTR nstep=10000 dt=0.10 ntwe=100 ntwx=100 lang=0 tbf tau_bath=1 t_bath=300 & damax=20.0 EDRIFTMAX=20.0 reset_moment=100 reset_vel=100 PRINT_COMPON & -preminim cart +preminim cart read_minim_par maxfun=100 nrep=8 nstex=100 tlist mlist traj1file rest1file sync nsyn=100 240 260 280 300 320 340 360 390