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exercises:2018_ethz_mmm:pmf

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exercises:2018_ethz_mmm:pmf [2018/05/25 11:09] dpasseroneexercises:2018_ethz_mmm:pmf [2018/05/25 11:09] dpasserone
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 <note important>   <note important>  
-  * After you copied the exercise_12 directory and entered it, look at the l1.xyz file (by editing or vmd) and understand the geometry of the system: which range of distances should you consider for MD runs?+  * After you copied the exercise_12 directory and entered it, look at the mol_sub.xyz file (by editing or vmd) and understand the geometry of the system: which range of distances should you consider for MD runs?
   * Create a directory T_300 and copy into it the following files and cd into the directory:   * Create a directory T_300 and copy into it the following files and cd into the directory:
 <code> cp run* *pot c1.topo md_temp.inp get_pot_mean_force T_300  ; cd T_300 </code>  <code> cp run* *pot c1.topo md_temp.inp get_pot_mean_force T_300  ; cd T_300 </code> 
exercises/2018_ethz_mmm/pmf.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1