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exercises:2018_ethz_mmm:qmmm_2018 [2018/05/18 03:01] dpasseroneexercises:2018_ethz_mmm:qmmm_2018 [2018/05/31 14:23] – [Validation of a KCl QMMM model] mwatkins
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 ====== Validation of a KCl QMMM model ====== ====== Validation of a KCl QMMM model ======
-=== (exercise by Matthew Watkins, University collegeLondon) ===+=== (exercise by Matthew Watkins, University of LincolnUK) ===
 In this exercise you will validate the mixed quamtum/classical model for a KCl slab.  In this exercise you will validate the mixed quamtum/classical model for a KCl slab. 
 The present exercise is referring to the following paper: [[doi>10.1002/jcc.23904]]. The present exercise is referring to the following paper: [[doi>10.1002/jcc.23904]].
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 <note warning> <note warning>
-The provided files are all in the directory ''/mnt/scratch/psd/Exercise_11.2''. When you create new input files with different parameters, remember to change the name of the **PROJECT** as well.+The provided files are all in the directory ''/mnt/scratch/psd/Exercise_11.2'' 
 +Copy the files in your directory **/mnt/scratch/mmmstud##/** with the command: 
 +<code> 
 +cp -r /mnt/scratch/psd/Exercise_11.2 /mnt/scratch/mmmstud##   
 +</code> 
 +When you create new input files with different parameters, remember to change the name of the **PROJECT** as well.
 </note> </note>
  
exercises/2018_ethz_mmm/qmmm_2018.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1