Merge branch 'prerelease-3.2.1'

[unres.git] / ctest / 1l2y_MIN_INT.inp

diff --git a/ctest/1l2y_MIN_INT.inp b/ctest/1l2y_MIN_INT.inp
new file mode 100644 (file)
index 0000000..ce41e67
--- /dev/null
+++ b/ctest/1l2y_MIN_INT.inp
@@ -0,0 +1,26 @@
+1L2Y minimize internal coordinates
+SEED=-3059743 minimize pdbref refstr rescale_mode=2 overlap nosearchsc
+print_min_ini print_min_res print_min_stat MAXMIN=3000 MAXFUN=3500
+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
+1L2Y.pdb
+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
+  118.4740   91.7823   90.3404   89.3388   90.2688   90.5528   90.2608   91.8517
+   91.2516  112.6457  114.2855   93.3110   94.0115  113.7225   94.1935  122.6596
+  117.6789  115.7586   93.9337  117.7525
+ -102.4154   63.8918   53.6672   44.5801   45.7047   51.3142   45.4942   65.8300
+  -69.7204  -63.5184  -78.1774   56.7999  138.6359  -83.5800   61.1299  -80.0117
+ -107.6271 -138.3675   46.2456
+  111.0437  140.0186  119.7331  146.2523  117.2478  139.8052  138.2821  132.6488
+  141.1706  180.0000  180.0000  128.9951  136.7308  122.7588  180.0000   87.7280
+  116.1119  141.5865   95.8012  143.6198
+  -86.0387  -46.9729  113.9184  -93.8597 -118.2335   49.5995 -148.0897 -135.5996
+ -121.1027  180.0000  180.0000 -152.5007 -154.1805 -145.3740  180.0000 -103.5827
+ -122.4221 -157.5917  -96.8194 -130.8054