MULTCONF cx examples

[unres.git] / examples / unres / new / MULTCONF / cx / 1bdd_min.inp

diff --git a/examples/unres/new/MULTCONF/cx/1bdd_min.inp b/examples/unres/new/MULTCONF/cx/1bdd_min.inp
new file mode 100644 (file)
index 0000000..7b28359
--- /dev/null
+++ b/examples/unres/new/MULTCONF/cx/1bdd_min.inp
@@ -0,0 +1,17 @@
+Protein A 
+SEED=-3059743  MULTCONF  RESCALE_MODE=0  OVERLAP NOSEARCHSC PDBREF             &
+READ_CART MINIMIZE
+MAXMIN=2000 MAXFUN=3000
+WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
+WSCLOC=0.10554 WTOR=1.84316 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=0.0                                         &
+CUTOFF=7.00000 WCORR4=0.00000
+1bdd_cut.pdb
+48
+ D   GLN GLN ASN ALA PHE TYR GLU ILE LEU HIS LEU PRO ASN LEU ASN GLU GLU GLN ARG
+ ASN GLY PHE ILE GLN SER LEU LYS ASP ASP PRO SER GLN SER ALA ASN LEU LEU ALA GLU
+ ALA LYS LYS LEU ASN ASP ALA D
+ 0
+ 0
+md_MD000.cx