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howto:md [2015/05/11 18:39]
130.60.136.225 [MD Convergence]
howto:md [2018/03/25 16:08] (current)
145.97.190.253
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 ====== How to run Molecular Dynamics ====== ====== How to run Molecular Dynamics ======
-Molecular dynamics a good method to perform thermodynamical averages, and to look at dynamical properties. It also a good starting point for many other more advanced techniques.+Molecular dynamics ​is a good method to perform thermodynamical averages, and to look at dynamical properties. It is also a good starting point for many other more advanced techniques.
  
 During an MD one expects the density to change more or less continuously,​ thus it is possible to use the solutions of the previous steps to create the new initial guess for the density (and wavefunctions for OT).  During an MD one expects the density to change more or less continuously,​ thus it is possible to use the solutions of the previous steps to create the new initial guess for the density (and wavefunctions for OT). 
howto/md.txt ยท Last modified: 2018/03/25 16:08 by 145.97.190.253