Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / Multichain / 1DKZ / ber / 1DKZ-gab-ber.inp

diff --git a/examples/unres/Multichain/1DKZ/ber/1DKZ-gab-ber.inp b/examples/unres/Multichain/1DKZ/ber/1DKZ-gab-ber.inp
new file mode 100644 (file)
index 0000000..3ed5bba
--- /dev/null
+++ b/examples/unres/Multichain/1DKZ/ber/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