exercises:2016_ethz_mmm:nacl_free_energy
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| exercises:2016_ethz_mmm:nacl_free_energy [2016/02/03 09:54] – external edit 127.0.0.1 | exercises:2016_ethz_mmm:nacl_free_energy [2016/04/15 08:37] – yakutovich | ||
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| ===== 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 · Last modified: 2020/08/21 10:15 by 127.0.0.1