CP2K Open Source Molecular Dynamics

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exercises:2014_ethz_mmm:md_ala

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exercise:md_ala [2014/04/15 14:30] – oschuettexercise:md_ala [2014/06/10 00:06] – dpasserone
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 mkdir EX_4.1 mkdir EX_4.1
 cd EX_4.1 cd EX_4.1
-cp /cluster/home03/matl/danielep/LECTURE4/EXERCISE_4.1/* . 
 </code> </code>
 +
 +<note tip>Then, copy the ** commented ** files from the wiki: {{exercise:exercise_4.1.zip|exercise_4.1.zip}}</note>
  
 You will start from a configuration already computed in a previous lecture, say **inp.a.pdb** which is included in the repository of this exercise as well. You will start from a configuration already computed in a previous lecture, say **inp.a.pdb** which is included in the repository of this exercise as well.
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 <note important>Which differences do you notice between the nve, the 100 K and the 300 K case? Can you explain them?</note> <note important>Which differences do you notice between the nve, the 100 K and the 300 K case? Can you explain them?</note>
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exercises/2014_ethz_mmm/md_ala.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1