exercises:2017_ethz_mmm:pythonmd
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| exercises:2017_ethz_mmm:pythonmd [2017/03/03 05:54] – dpasserone | exercises:2017_ethz_mmm:pythonmd [2017/03/03 05:55] – dpasserone | ||
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| Compare the performance with the one of the python code. What do you notice? | Compare the performance with the one of the python code. What do you notice? | ||
| Plot the energy by using the file **MD-1.ener** and **gnuplot** | Plot the energy by using the file **MD-1.ener** and **gnuplot** | ||
| - | - What is the value of the total energy? Is it conserved? | + | |
| - | - Increase the time step to 3 fs, and run it again. What happens to the total energy? | + | - Increase the time step to 3 fs, and run it again. What happens to the total energy? |
| </ | </ | ||
exercises/2017_ethz_mmm/pythonmd.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1