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exercises:2014_uzh_molsim:h2o_md

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exercise:mm_uzh:h2o_md [2014/05/05 18:01] talirzexercise:mm_uzh:h2o_md [2014/05/06 12:50] talirz
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   * Check that the MD is energy conserving and //well-behaved//   * Check that the MD is energy conserving and //well-behaved//
-  * FIXME additional question 
 </note> </note>
  
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   * Plot $g_{O-O}(r)$ at 200, 300 and 400 K into the same graph.   * Plot $g_{O-O}(r)$ at 200, 300 and 400 K into the same graph.
   * What are the differences in the height of the first peak?   * What are the differences in the height of the first peak?
-  * What does this say about the structure of the liquid and is this expected?+  * What does this say about the structure of the liquid and is this expected? (2P)
   * Compare to experimental data ''goo.ALS'' taken at 300 K.    * Compare to experimental data ''goo.ALS'' taken at 300 K. 
 </note> </note>
exercises/2014_uzh_molsim/h2o_md.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1