exercises:2015_uzh_molsim:nacl_free_energy
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exercises:2015_uzh_molsim:nacl_free_energy [2015/04/23 12:20] – external edit 127.0.0.1 | exercises:2015_uzh_molsim:nacl_free_energy [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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====== Profiles of potential energy and free energy ====== | ====== Profiles of potential energy and free energy ====== | ||
- | We are going to start with the simplified example of isolated $\text{Na}^+$ and $\text{Cl}^-$ in the //gas phase//, where we can directly compare the results of our computer simulation against the analytical | + | We are going to start with the simplified example of isolated $\text{Na}^+$ and $\text{Cl}^-$ in the //gas phase//, where we can directly compare the results of our computer simulation against the analytical |
We have provided an input file '' | We have provided an input file '' |
exercises/2015_uzh_molsim/nacl_free_energy.1429791640.txt.gz · Last modified: 2020/08/21 10:15 (external edit)