exercises:2014_uzh_molsim:nacl_free_energy
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exercise:mm_uzh:nacl_free_energy [2014/05/19 22:34] – talirz | exercise:mm_uzh:nacl_free_energy [2014/06/30 11:25] – talirz | ||
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- Compute the radial distribution function for the provided trajectory and plot it as a function of Na-Cl distance. | - Compute the radial distribution function for the provided trajectory and plot it as a function of Na-Cl distance. | ||
- Use the equations above to compute the free energy profile. Does it agree with the one constructed from the Shake Lagrange multipliers? | - Use the equations above to compute the free energy profile. Does it agree with the one constructed from the Shake Lagrange multipliers? | ||
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exercises/2014_uzh_molsim/nacl_free_energy.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1