[CP2K:7907] QMMM, AIMD-QMMM

[hqzhou]

DJ MG,

cp2k itself is a code for classical MD and AIMD. I don't think that there is a characteristic
input file for AIMD, it's up to what you want to do with it. For example, calculating elastic,
magnetic, or optic properties makes input files different.

Huiqun Zhou
@earth scieces, nanjing university, china
 

 
------------------ Original ------------------
From:  "Dj MG"<ghada... at gmail.com>;
Date:  Fri, Jul 8, 2016 11:40 AM
To:  "cp2k"<cp... at googlegroups.com>; 

Subject:  [CP2K:7907] QMMM, AIMD-QMMM

 
Hi cp2k lovers.
What's the characteristic input file for AIMD method?
My Goal is looking for proton transfer.



Cemungud always
DJ MG


 

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