TURBOMOLE Modules > Jobex: Structure Optimization and Molecular Dynamics

dipole moment from MD run

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sruta:
Dear TURBOMOLE community,

Is it possible to save dipole moments of the system at each step of an MD run? The only option I can currently think of is using something like:
--- Code: ---jobex -md -mdscript grep_dipole.sh
--- End code ---
Are there other solutions?

Kind regards,
Adam

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