exercises:2014_ethz_mmm:nacl_md
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exercise:nacl_md [2014/05/30 10:59] – [1. Task: Observer NaCl dissociation] oschuett | exercise:nacl_md [2014/05/30 13:09] – oschuett | ||
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- | ===== 1. Task: Observer NaCl dissociation ===== | + | ====== Observer NaCl dissociation ====== |
Perform a MD simulation of NaCl in water by running the input-file '' | Perform a MD simulation of NaCl in water by running the input-file '' | ||
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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: '' | + | - Setup the box through the g(r) menu. |
- | - Fold back periodic images by typing: '' | + | - 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 | ||
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<note tip> | <note tip> | ||
- | You should run these calculations | + | You should run this calculation |
</ | </ | ||
====== Required Files ====== | ====== Required Files ====== |
exercises/2014_ethz_mmm/nacl_md.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1