exercises:2015_ethz_mmm:alanine_modify
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| exercises:2015_ethz_mmm:alanine_modify [2015/03/03 22:27] – dpasserone | exercises:2015_ethz_mmm:alanine_modify [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| ====== Modification of the dihedral parameters ====== | ====== Modification of the dihedral parameters ====== | ||
| - | |||
| <note warning> | <note warning> | ||
| - | TO USE THE FUNCTION LIBRARY (VERSION UP TO DATE IN DANIELE PASSERONE DIR) IN THE INTERACTIVE SHELL: | + | TO USE THE FUNCTION LIBRARY (VERSION UP TO DATE) IN THE INTERACTIVE SHELL: |
| - | you@eulerX ~$ . ~danielep/ | + | you@eulerX ~$ module load courses mmm ; mmm-init |
| </ | </ | ||
| + | |||
| Download the 2.3 exercise into your $HOME folder and unzip it. | Download the 2.3 exercise into your $HOME folder and unzip it. | ||
| Line 108: | Line 108: | ||
| gnuplot> load " | gnuplot> load " | ||
| </ | </ | ||
| - | * How will the line profile change? Why? | + | <note tip> |
| + | How will the line profile change? Why? | ||
| + | </ | ||
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