corrected example CSA run with 4P
[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa.inp
diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa.inp b/examples/unres/CSA/4P/outputs/1l2y_csa.inp
new file mode 100644 (file)
index 0000000..5c6fc33
--- /dev/null
@@ -0,0 +1,17 @@
+1l2y
+SEED=-3059743  CSA   MINIMIZE      RESCALE_MODE=0          OVERLAP NOSEARCHSC
+MAXMIN=3000 MAXFUN=1000
+NCONF=200 NSTMAX=300000 N1=5 N2=5 N6=10  N3=0 N4=0 N8=0 IS1=1 IS2=25 NSEED=20  &
+NTOTAL=10000  CUT1=2.0 CUT2=5.0 ESTOP=-900000.0 IRESTART=0 NCONF_IN=0          &
+DELE=30.0 DIFCUT=720.0 IREF=0 RMSCUT=4.0 IZ_SC=1 PNCCUT=0.6                    &
+ICMAX=1 IUCUT=2 NBANKM=200
+WLONG=1.00000 WSCP=2.73684 WELEC=0.06833 WANG=4.15526 WSCLOC=0.16761           &
+WTOR=2.99546 WTORD=2.89720 WCORRH=1.98989 WCORR5=0.00000 WCORR6=0.00000        &
+WEL_LOC=1.60072 WTURN3=2.36351 WTURN4=1.34051 WTURN6=0.00000                   &
+WSCCOR=0.0                                                                     &
+CUTOFF=7.00000 WCORR4=0.00000                                                  
+22
+ D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO 
+ SER D 
+0
+0