Merge branch 'prerelease-3.2.1'

[unres.git] / ctest / 1ei0_min.inp

diff --git a/ctest/1ei0_min.inp b/ctest/1ei0_min.inp
new file mode 100644 (file)
index 0000000..2deb7ff
--- /dev/null
+++ b/ctest/1ei0_min.inp
@@ -0,0 +1,12 @@
+1ei0
+SEED=-1111333 MINIMIZE pdbstart PDBREF PDBOUT OVERLAP NOSEARCHSC CART
+print_min_ini print_min_res print_min_stat MAXMIN=10000 MAXFUN=15000
+WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
+WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
+WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
+CUTOFF=7.00000 WCORR4=0.00000
+1ei0.pdb
+4 4 14 25 35
+2 4 35 14 25 
+0