X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_e0g%2Fala10.inp;fp=examples%2Funres%2FMD%2Fff_e0g%2Fala10.inp;h=0000000000000000000000000000000000000000;hp=06cac89d7ffec74ff354b48c96219a9d96b53493;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/examples/unres/MD/ff_e0g/ala10.inp b/examples/unres/MD/ff_e0g/ala10.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=1.70905 WSCP=2.18310 WELEC=1.06684 WBOND=1.00000 WANG=1.17536            &
-WSCLOC=0.22070 WTOR=2.65798 WTORD=2.00646 WCORRH=0.23541 WCORR5=0.00000        &
-WCORR6=0.00000 WEL_LOC=0.42789 WTURN3=1.68126 WTURN4=0.75080 WTURN6=0.00000    &
-WVDWPP=0.27044 WHPB=1.00000 WSCP14=0.00000                                     &
-CUTOFF=7.00000 WCORR4=0.00000
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