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exercises:2016_ethz_mmm:nacl_free_energy

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exercises:2016_ethz_mmm:nacl_free_energy [2016/02/03 09:54]
127.0.0.1 external edit
exercises:2016_ethz_mmm:nacl_free_energy [2016/04/15 08:37] (current)
yakutovich
Line 61: Line 61:
  
 ===== 3. Task: Free energy curve of NaCl in water at 350K ===== ===== 3. Task: Free energy curve of NaCl in water at 350K =====
-In this section, we provide an incomplete list of average Lagrange multipliers. You will habe to run a single constrained MD simulation, get the average Lagrange Multiplier. In this way you can complete the list and compute the free energy profile in water. ​+In this section, we provide an incomplete list of average Lagrange multipliers. You will have to run a single constrained MD simulation, get the average Lagrange Multiplier. In this way you can complete the list and compute the free energy profile in water. ​
  
   * Use the same input as ** Task 2**.   * Use the same input as ** Task 2**.
exercises/2016_ethz_mmm/nacl_free_energy.txt ยท Last modified: 2016/04/15 08:37 by yakutovich