[DFTB-Plus-User] Impulse Dynamics question

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Tue Nov 17 10:08:38 CET 2009


Dear Prof. Azevedo,

> 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.

 If everything goes well :-), this should be available in 1.1.

  Cheers

   Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 252 bytes
Desc: OpenPGP digital signature
Url : http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20091117/0e0860ab/attachment.pgp 


More information about the DFTB-Plus-User mailing list