CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace: • ensemble • wfc • bands_1 • md_ala • t_melting • surface_au
exercises:2018_uzh_acpc2:mol_sol

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision		Previous revision
exercises:2018_uzh_acpc2:mol_sol [2018/05/08 11:13] – [Ramachandran plot] jglanexercises:2018_uzh_acpc2:mol_sol [2020/08/21 10:15] (current) – external edit 127.0.0.1
Line 5: Line 5:
  
 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> 
  
  
Line 67: Line 67:
   * 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>
- 
  
 ===== Ramachandran plot ===== ===== Ramachandran plot =====
exercises/2018_uzh_acpc2/mol_sol.1525778028.txt.gz · Last modified: (external edit)