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--- exercises:2018_ethz_mmm:pmf [2018/05/25 14:19] – dpasserone
+++ exercises:2018_ethz_mmm:pmf [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 95: / Line 95: @@
 <note important>
-  - Edit the input file to run 50 picoseconds, to write the restart at the end, to thermalize at the wished temperature.  The length of the simulation is small to get converged averages, but the run will thus last a few minutes per distance making the exercise feasible on 16 cores.
+  - Edit the input file to run 50 picoseconds, to write the restart at the end, to thermalize at the wished temperature
+  - **REPLACE _NSTEPS_ WITH THE NUMBER OF STEPS AND _TEMP_ WITH THE DESIRED TEMPERATURE IN THE md_temp.inp FILE**
+  - The length of the simulation is small to get converged averages, but the run will thus last a few minutes per distance making the exercise feasible on 16 cores.
   - Now run the chain of simulations
 <code> qsub run_distance_loop </code>
@@ Line 111: / Line 113: @@
 </code>
 </note>
+<note important>
+Check the already finished runs in REF_300:
+<code>
+cd REF_300
+cp ../get_pot_mean_force .
+./get_pot_mean_force
+gnuplot
+gnuplot > plot "pot_mean_force" w lp
+</code>
+</note>
 <note warning>