X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_e0g%2F1lq7.inp;fp=examples%2Funres%2FMD%2Fff_e0g%2F1lq7.inp;h=0000000000000000000000000000000000000000;hp=efd0fe00a98e1c6c5a99712b998b79164cd4978d;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/ff_e0g/1lq7.inp b/examples/unres/MD/ff_e0g/1lq7.inp deleted file mode 100644 index efd0fe0..0000000 --- a/examples/unres/MD/ff_e0g/1lq7.inp +++ /dev/null @@ -1,12 +0,0 @@ -1LQ7 -SEED=-3059743 MD pdbstart pdbref refstr rescale_mode=2 -nstep=10000 ntwe=100 ntwx=1000 lang=0 tbf t_bath=300 tau_bath=1.0 dt=0.10 & -reset_moment=1000 reset_vel=0 damax=4.0 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 -1lq7.pdb -0 -0