exercises:2014_ethz_mmm:nacl_md
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| exercise:nacl_md [2014/05/29 11:55] – vondele | exercise:nacl_md [2014/05/30 12:19] – [Observer NaCl dissociation] 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 '' | ||
| Line 16: | Line 17: | ||
| Plot the obtained distance-trajectory. Does the dissociation occur? If it occurs, does the actual transition happens quickly ? Is dissociation a likely or rare event ? Do you expect an activation energy ? | Plot the obtained distance-trajectory. Does the dissociation occur? If it occurs, does the actual transition happens quickly ? Is dissociation a likely or rare event ? Do you expect an activation energy ? | ||
| + | <note tip> | ||
| + | You should run this calculation on 4 cores with '' | ||
| + | </ | ||
| ====== Required Files ====== | ====== Required Files ====== | ||
| <code - NaCl_in_water.inp> | <code - NaCl_in_water.inp> | ||
exercises/2014_ethz_mmm/nacl_md.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1