X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2FMultichain%2F1DKZ-gab-ber.inp;fp=examples%2Funres%2FMD%2FMultichain%2F1DKZ-gab-ber.inp;h=3ed5bba5596070f42edbf3b7368baba6674a0ac4;hb=21e268b48ee81f0daa1d58979558d4bf12dc72c8;hp=0000000000000000000000000000000000000000;hpb=822355e377f62068b719a62c717648be0900a455;p=unres.git

diff --git a/examples/unres/MD/Multichain/1DKZ-gab-ber.inp b/examples/unres/MD/Multichain/1DKZ-gab-ber.inp
new file mode 100644
index 0000000..3ed5bba
--- /dev/null
+++ b/examples/unres/MD/Multichain/1DKZ-gab-ber.inp
@@ -0,0 +1,12 @@
+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