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exercise:nacl_md [2014/05/30 13:09] – oschuettexercise:nacl_md [2014/05/30 13:38] – oschuett
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 This can be done in the following way: This can be done in the following way:
   - Load the trajectory with VMD   - Load the trajectory with VMD
-  - Setup the box through the g(r) menu.+  - Select ''Extensions'' -> ''Analysis'' -> ''Radial Pair Distribution Function'' from the menu 
 +  - Within the $g(r)$-dialog select ''Utilities'' -> ''Set unit cell dimensions'' from the menu 
 +  - Set the lengths a,b, and c to the value 12.413800, and click ''Set unit cell'' 
 +  - Close the $g(r)$-dialog
   - Fold back periodic images by typing: ''pbc wrap -centersel "element Na" -center com -all''   - Fold back periodic images by typing: ''pbc wrap -centersel "element Na" -center com -all''
   - Select ''Mouse'' -> ''Label'' -> ''Bonds'' from the menu   - Select ''Mouse'' -> ''Label'' -> ''Bonds'' from the menu
exercises/2014_ethz_mmm/nacl_md.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1