[Pw_forum] Initial velocities for MD run?

Norbert Nemec Norbert.Nemec.List at gmx.de
Mon Jul 12 19:24:50 CEST 2010


Hi there,

is there any way to specify initial velocities for a MD run? From what I see, only thermalization or zero velocites are possible.

Ultimately, I want to do simulate a scattering process of two molecules.

If this is not possible, I would consider implementing it. Does anyone have specific ideas about that?

Greetings,
Norbert
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