exercises:2018_ethz_mmm:pmf
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| exercises:2018_ethz_mmm:pmf [2018/05/25 11:08] – dpasserone | exercises: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: | ||
| - | < | + | < |
| * At this point edit the **run_distance_loop** script and insert the list of distances you want to simulate. | * At this point edit the **run_distance_loop** script and insert the list of distances you want to simulate. | ||
| * How many steps will you run per each distance? This will be decided by editing the input file. | * How many steps will you run per each distance? This will be decided by editing the input file. | ||
exercises/2018_ethz_mmm/pmf.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1