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exercises:2018_ethz_mmm:h2o_md [2018/03/02 14:58] – dpasseroneexercises:2018_ethz_mmm:h2o_md [2018/03/02 15:36] – dpasserone
Line 242: Line 242:
 <code>./vel_autocorr.py T300-vel-1.xyz 3 10 100  <code>./vel_autocorr.py T300-vel-1.xyz 3 10 100 
 ./vel_autocorr_plot.py vel_autocorr.out ./vel_autocorr_plot.py vel_autocorr.out
-./mean_square_displ.py T300.xyz 3 10 100+./mean_square_disp.py T300.xyz 3 10 100
 ./msd_fit_and_plot.py mean_square_disp.out ./msd_fit_and_plot.py mean_square_disp.out
 </code> </code>
 +Remember: to display the **png** files, the command is <code>display file.png</code>
 <note important>Assignments <note important>Assignments
   - look at the file T300-1.ener at the end of the simulation. It contains several quantities. Check the header!   - look at the file T300-1.ener at the end of the simulation. It contains several quantities. Check the header!
exercises/2018_ethz_mmm/h2o_md.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1