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 -- GMX DSL: Internet-, Telefon- und Handy-Flat ab 19,99 EUR/mtl. Bis zu 150 EUR Startguthaben inklusive! http://portal.gmx.net/de/go/dsl
