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 [2015/03/19 22:16] – yakutovich | ||
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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? | ||
+ | </ |
exercises/2015_ethz_mmm/alanine_modify.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1