exercises:2015_ethz_mmm:nacl_free_energy
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exercises:2015_ethz_mmm:nacl_free_energy [2015/03/18 16:33] – sclelia | exercises:2015_ethz_mmm:nacl_free_energy [2015/03/18 16:46] – [3. Task: Free energy curve of NaCl in water at 350K] sclelia | ||
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* Use the same input as ** Task 2**. | * Use the same input as ** Task 2**. | ||
- | * BUT take the solvated system coordinates from the previous exercise (See: [[exercises: | + | * BUT take the forcefield and the solvated system coordinates from the previous exercise (See: [[exercises: |
* Other slight modifications to your input: | * Other slight modifications to your input: | ||
- In the MOTION-CONSTRAINT section set TARGET to 2.9. | - In the MOTION-CONSTRAINT section set TARGET to 2.9. |
exercises/2015_ethz_mmm/nacl_free_energy.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1