X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FDYN_SS%2Fhth%2Fsmall.inp;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FDYN_SS%2Fhth%2Fsmall.inp;h=0000000000000000000000000000000000000000;hp=7dec99e059e901a4b02bc6a49860982e94adf60d;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small.inp b/examples/unres/new/microcanonical/DYN_SS/hth/small.inp deleted file mode 100644 index 7dec99e..0000000 --- a/examples/unres/new/microcanonical/DYN_SS/hth/small.inp +++ /dev/null @@ -1,13 +0,0 @@ -small hth example with ssbond forming and breaking -SEED=-1111333 MD ONE_LETTER pdbstart UNRES_PDB -nstep=100000 dt=0.01 ntwe=100 ntwx=500 lang=0 t_bath=300 & -reset_moment=0 reset_vel=0 damax=5.0 MDPDB PRINT_COMPON -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 WSCCOR=0.0 dyn_ss -a.pdb -2 5 14 -0 -0