X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2FMultichain%2F1DKZ-gab-ber.inp;fp=examples%2Funres%2FMD%2FMultichain%2F1DKZ-gab-ber.inp;h=0000000000000000000000000000000000000000;hp=3ed5bba5596070f42edbf3b7368baba6674a0ac4;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/Multichain/1DKZ-gab-ber.inp b/examples/unres/MD/Multichain/1DKZ-gab-ber.inp deleted file mode 100644 index 3ed5bba..0000000 --- a/examples/unres/MD/Multichain/1DKZ-gab-ber.inp +++ /dev/null @@ -1,12 +0,0 @@ -1DKZ with substrate -SEED=-3059743 MD PDBSTART REFSTR PDBREF PDBOUT DISTCHAINMAX=100 -nstep=10000 ntwx=100 ntwe=10 dt=0.001 lang=0 tbf=1 tau_bath=1.0 t_bath=50 & -MDPDB respa -WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & -WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & -WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & -WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & -CUTOFF=7.00000 WCORR4=0.00000 -1DKZ.pdb -0 -0