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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] (current)
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: 2015/03/19 22:13 by yakutovich