Changes between Version 3 and Version 4 of AlanineDipeptide


Ignore:
Timestamp:
2016-10-24T21:15:30Z (4 years ago)
Author:
fgygi
Comment:

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  • AlanineDipeptide

    v3 v4  
    8686 md.r:: Qbox output file for the molecular dynamics simulation (attachment:md.r)
    8787
     88The Kohn-Sham energy (<etotal>) and the constant of the motion (<econst>) can be plotted using the {{{econste.plt}}} script provided in the {{{util}}} directory:
     89[[Image(ala2_md_econste.png)]]
     90
     91