[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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