exercises:2018_ethz_mmm:qmmm_2018
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| exercises:2018_ethz_mmm:qmmm_2018 [2018/05/18 03:00] – created dpasserone | exercises:2018_ethz_mmm:qmmm_2018 [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| ====== Validation of a KCl QMMM model ====== | ====== Validation of a KCl QMMM model ====== | ||
| - | === (exercise by Matthew Watkins, University | + | === (exercise by Matthew Watkins, University |
| In this exercise you will validate the mixed quamtum/ | In this exercise you will validate the mixed quamtum/ | ||
| The present exercise is referring to the following paper: [[doi> | The present exercise is referring to the following paper: [[doi> | ||
| Line 66: | Line 66: | ||
| <note warning> | <note warning> | ||
| - | The provided files are all in the directory ''/ | + | The provided files are all in the directory ''/ |
| + | Copy the files in your directory **/ | ||
| + | < | ||
| + | cp -r / | ||
| + | </ | ||
| + | When you create new input files with different parameters, remember to change the name of the **PROJECT** as well. | ||
| </ | </ | ||
exercises/2018_ethz_mmm/qmmm_2018.1526612401.txt.gz · Last modified: (external edit)
