exercises:2014_ethz_mmm:nacl_md
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exercise:nacl_md [2014/05/30 12:19] – oschuett | exercise:2014_ethz_mmm:nacl_md [2014/10/15 12:42] – exercise:nacl_md renamed to exercise:2014_ethz_mmm:nacl_md 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 by typing: | + | - Select '' |
- | - Fold back periodic images by typing: '' | + | - Within the $g(r)$-dialog select |
+ | - Set the lengths a,b, and c to the value 12.413800, and click '' | ||
+ | - Close the $g(r)$-dialog | ||
+ | - Fold back periodic images by typing: '' | ||
- Select '' | - Select '' | ||
- Click successively on the Na and the Cl atom | - Click successively on the Na and the Cl atom | ||
Line 18: | Line 21: | ||
<note tip> | <note tip> | ||
- | You should run this calculation on 4 cores with bsub -n 4. | + | You should run this calculation on 4 cores with '' |
</ | </ | ||
====== Required Files ====== | ====== Required Files ====== |
exercises/2014_ethz_mmm/nacl_md.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1