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exercises:2015_ethz_mmm:md_slab [2015/03/19 22:08]
dpasserone
exercises:2015_ethz_mmm:md_slab [2015/03/19 22:13]
yakutovich
Line 73: Line 73:
 <note tip> <note tip>
  Discuss radial distribution function for 700, 1100, and 1300 K.   Discuss radial distribution function for 700, 1100, and 1300 K. 
-Here how to use the g( r ) module: +</note> 
-1) First apply pbcs (see above) +<note important> 
-2) Open the radial distribution function plugin and enter the parameters as shown (**note: in the example below we excluded the first 10 frames**) (from "Utilities" you can check that your unit cell is OK) +Hint: how to use the g( r ) module: 
-3) Click "Compute g( r )" +  First apply pbcs (see above) 
-4) From the "File" menu of the graph window, you can save as postscript file or other formats.+  Open the radial distribution function plugin and enter the parameters as shown (**note: in the example below we excluded the first 10 frames**) (from "Utilities" you can check that your unit cell is OK) 
 +  Click "Compute g( r )" 
 +  From the "File" menu of the graph window, you can save as postscript file or other formats.
  
 {{:exercises:2015_ethz_mmm:screen_shot_2015-03-19_at_23.03.32.png?600|}} {{:exercises:2015_ethz_mmm:screen_shot_2015-03-19_at_23.03.32.png?600|}}
 </note> </note>
exercises/2015_ethz_mmm/md_slab.txt · Last modified: 2020/08/21 10:15 (external edit)