[DFTB-Plus-User] molecule impacts in dftb+

Axel Maeyens axel.maeyens at ua.ac.be
Tue Sep 2 14:39:39 CEST 2008

Dear DFTB+ users,

As a new user of this code (formerly I used classical molecular 
dynamics), I wonder wether it is possible to assign some initial 
velocities to the atoms whilst using the Velocity Verlet driver in the 
code. I would like to simulate impacts of molecules on 
clusters/surfaces. Thanks in advance.

Best wishes,
Axel Maeyens


Research Group PLASMANT
Department of Chemistry,
University of Antwerp
Universiteitsplein 1,
2610 Antwerp, Belgium

office: B2.32
phone: +32-(0)3-820.23.82
fax: +32-(0)3-820.23.76
mail: axel.maeyens at ua.ac.be

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