Added molsim_runlj which was apparently removed

inst/molsim_runlj.m

@@ -0,0 +1,32 @@
+
+%%
+%% molsim_runlj: Simple Lennard-Jones simulation
+%%
+%% Test: 
+%%
+
+function molsim_runlj()
+
+  cutoff = 2.5; epsilon = 1.0; sigma = 1.0; aw=1.0;
+
+  molsim('set', 'lattice', [10 10 10], [12 12 12]);
+  molsim('load', 'xyz', 'start.xyz');
+
+  for n=1:10000
+
+    molsim('reset');
+    molsim('calcforce', 'lj', 'AA', cutoff, sigma, epsilon, aw);
+    molsim('integrate', 'leapfrog');
+
+    if rem(n, 100)==0
+      molsim('print');
+    end
+
+  end
+
+  molsim('save', 'A', 'start.xyz');
+  molsim('clear');
+
+  fprintf('\n');
+
+end