X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_gab%2Fala10a.inp;fp=examples%2Funres%2FMD%2Fff_gab%2Fala10a.inp;h=0000000000000000000000000000000000000000;hp=737222cf0fdf32982c11463c9b3ce98651a7f2d3;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/examples/unres/MD/ff_gab/ala10a.inp b/examples/unres/MD/ff_gab/ala10a.inp
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-ala10 unblocked
-SEED=-1111333 MD ONE_LETTER rescale_mode=2 PDBOUT
-nstep=500000 ntwe=100 ntwx=1000 dt=0.1 lang=0 tbf t_bath=300 damax=1.0         &
-reset_moment=1000 reset_vel=1000 MDPDB
-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                                                    &
-CUTOFF=7.00000 WCORR4=0.00000
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