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MOPAC software has the capability to run Dynamic Reaction Coordinate. In this calculation, an initial kinetic energy is given to selected atoms and their vector velocities are specified.
Is there something similar in xTB?
If I start with a XYZ file with specific atom velocities, the system will evolve considering this?
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Hello,
MOPAC software has the capability to run Dynamic Reaction Coordinate. In this calculation, an initial kinetic energy is given to selected atoms and their vector velocities are specified.
Is there something similar in xTB?
If I start with a XYZ file with specific atom velocities, the system will evolve considering this?
Regards,
Camps
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