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exercises:2014_ethz_mmm:nacl_md [2014/05/30 13:09]
oschuett
exercises:2014_ethz_mmm:nacl_md [2014/10/15 12:42] (current)
oschuett exercise:nacl_md renamed to exercise:2014_ethz_mmm:nacl_md
Line 6: Line 6:
 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.1401455369.txt.gz · Last modified: 2014/05/30 13:09 by oschuett