[DFTB-Plus-User] Appending atomic gross charges during MD run
Lukas Cvitkovich
l.cvitkovich at gmail.com
Sun Jan 3 13:28:21 CET 2021
Dear DFTB+ users,
I would like to analyze the atomic gross charges during an MD run. The
MD itself already works well.
The only problem i have is that the file 'detailed.out' is overwritten
at each step.
Is there a option to append the information of all steps to this file?
Or do you happen to have another solution to my problem?
Thank you! Any help is appreciated.
Best,
Lukas
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