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exercises:2018_uzh_acpc2:mol_sol [2018/05/08 11:13]
jglan [Ramachandran plot]
exercises:2018_uzh_acpc2:mol_sol [2018/05/08 11:14] (current)
jglan [Water]
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 We have prepared a CP2K input file ''​water.inp''​ for running a MD simulation of liquid water using the force field from the first exercise (parametrized by [[https://​aip.scitation.org/​doi/​pdf/​10.1063/​1.1884609|Praprotnik et al.]]). We have prepared a CP2K input file ''​water.inp''​ for running a MD simulation of liquid water using the force field from the first exercise (parametrized by [[https://​aip.scitation.org/​doi/​pdf/​10.1063/​1.1884609|Praprotnik et al.]]).
-<note important>​Download {{ water.zip |water.zip}}</​note> ​+<note important>​Download {{ water.zip |water.zip}} ​and extract it.</​note> ​
  
  
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   * Does IR or dielectric constant match the experimenal value? If not, why?   * Does IR or dielectric constant match the experimenal value? If not, why?
 </​note>​ </​note>​
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 ===== Ramachandran plot ===== ===== Ramachandran plot =====
exercises/2018_uzh_acpc2/mol_sol.txt ยท Last modified: 2018/05/08 11:14 by jglan