[DFTB-Plus-User] Impulse Dynamics question
David L. Azevedo
david888 at uol.com.br
Sun Nov 15 20:05:29 CET 2009
I would like to know how to set up initial velocities
to some atoms in a MD simulation while keeping
others atoms of the system fixed.
For me is important to verify the collision reactivity.
It would be of great help if someone could send me
an input example.
Thanks in advance,
__________ Information from ESET Smart Security, version of virus signature database 4610 (20091115) __________
The message was checked by ESET Smart Security.
More information about the DFTB-Plus-User