Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / GAB / global / restrained / 1l2y_csa.inp

diff --git a/examples/unres/CSA/GAB/global/restrained/1l2y_csa.inp b/examples/unres/CSA/GAB/global/restrained/1l2y_csa.inp
new file mode 100644 (file)
index 0000000..e8b3fbd
--- /dev/null
+++ b/examples/unres/CSA/GAB/global/restrained/1l2y_csa.inp
@@ -0,0 +1,40 @@
+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=3.5 IZ_SC=1 PNCCUT=0.6                    &
+ICMAX=1 IUCUT=2 NBANKM=200
+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
+22
+ D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO 
+ SER D 
+0
+22
+0.000
+    1   0.000 180.000
+    2   0.000 180.000
+    3   0.000 180.000
+    4   0.000 180.000
+    5   0.000 180.000
+    6   0.000 180.000
+    7  45.000   5.000
+    8  45.000   5.000
+    9  45.000   5.000
+   10  45.000   5.000
+   11  45.000   5.000
+   12  45.000   5.000
+   13   0.000 180.000
+   14   0.000 180.000
+   15   0.000 180.000
+   16   0.000 180.000
+   17   0.000 180.000
+   18   0.000 180.000
+   19   0.000 180.000
+   20   0.000 180.000
+   21   0.000 180.000
+   22   0.000 180.000