[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
--
=======================================
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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