[DFTB-Plus-User] Data analysis recommendations for dftb trajectory

[Bálint Aradi]

Dear Arun,

currently, we do not offer any special tool for analyzing MD. The basic 
information about the trajectory (geometry, velocities, atomic charges) 
are written in XYZ-format, which most tools should be able to handle.

Best regards,

Bálint

On 02.10.23 15:17, Arun Sharma wrote:
> Hello,
> 
> Does the DFTB+ community/developers favor any particular data analysis 
> package to analyze trajectories? I am coming from gromacs where analysis 
> tools are also part of the MD engine and there is tight interoperability.
> Any advice/recommendation is highly appreciated.
> Thank you,
> 
> 
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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