dynamic ssbond test

[unres.git] / examples / unres / new / MD / DYN_SS / ss / 4 / small.inp

diff --git a/examples/unres/new/MD/DYN_SS/ss/4/small.inp b/examples/unres/new/MD/DYN_SS/ss/4/small.inp
new file mode 100644 (file)
index 0000000..0265757
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/4/small.inp
@@ -0,0 +1,21 @@
+small
+SEED=-1111333 MD ONE_LETTER
+nstep=50000  dt=0.1 ntwe=1000  ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=400   &
+reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB
+WSC=1.00000 WSCP=2.79405 WELEC=0.14581 WANG=1.95684 WSCLOC=0.17010             &
+WTOR=2.04698 WTORD=1.69624 WCORRH=1.84615 WCORR5=0.02730 WCORR6=0.00741        &
+WEL_LOC=1.21837 WTURN3=2.91386 WTURN4=0.73178 WTURN6=0.02391 WBOND=1.0         &
+CUTOFF=7.00000 WCORR4=0.00000 HT=3.0
+18
+GAAACAAAAAAAACAAAG
+2 5 14
+1 5 14
+ 0
+   90.0000   90.0000   90.0000  90.000   90.000   90.000   90.000   90.000
+   90.0000   90.0000   90.0000  90.000   90.000   90.000   90.000   90.000
+  180.0000  180.0000  180.0000 180.000  180.000  180.000  180.000  180.000
+  180.0000  180.0000  180.0000 180.000  180.000  180.000  180.000  180.000
+  110.0000  110.0000  110.0000 100.000  110.000  100.000  110.000  110.000
+  110.0000  110.0000  110.0000 100.000  110.000  100.000  110.000  110.000
+ -120.0000 -120.0000 -120.000 -120.000 -120.000 -120.000 -120.000 -120.000
+ -120.0000 -120.0000 -120.000 -120.000 -120.000 -120.000 -120.000 -120.000