[DFTB-Plus-User] MD restart
toufik essakhri
tousak at hotmail.fr
Mon Jun 19 11:16:06 CEST 2023
Dear all,
I am writing to kindly ask about a "simple" way to restart Molecular Dynamics calculations.
I am aware that one should start new calculation by restarting from the last geometry and velocities. However, I am performing MD simulations for multiple systems.
It would be useful if there is a script that creates the inputs to restart calculation from the last outputs.
Best regards,
Toufik
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