git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12924 f3b2605a-c512-4ea7-a41b-209d697bcdaa

tools/moltemplate/examples/misc_examples/menger_sponge/run.in

@@ -0,0 +1,38 @@
+# ------------------------------- Initialization Section --------------------
+
+include         system.in.init
+
+# ------------------------------- Atom Definition Section -------------------
+
+read_data       system.data
+
+# ------------------------------- Settings Section --------------------------
+
+include         system.in.settings
+
+# ------------------------------- Run Section -------------------------------
+#
+# Some of the run-settings below were stolen from:
+# 
+# http://icme.hpc.msstate.edu/mediawiki/index.php/Uniaxial_Compression
+
+# EQUILIBRATION
+reset_timestep	0
+timestep 0.001
+velocity all create 300 12345 mom yes rot no
+fix 1 all npt temp 300 300 1 iso 0 0 1 drag 1 
+
+# Output files
+thermo 	100
+thermo_style	custom step ke pe press
+dump            dCoords all custom 100 traj.lammpstrj id type x y z ix iy iz
+
+run             20000
+
+# Run for at least 10 picosecond (assuming 1 fs timestep)
+run 10000
+
+
+######################################
+# SIMULATION DONE
+print "All done"