[DFTB-Plus-User] Change Output Frequency for MD Simulations

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Thu Dec 12 04:54:57 CET 2013

Dear Jonathan,

> I was wondering if there is a way to output the coordinates of an MD run
> only at every picosecond if the simulation is in femptoseconds.

Look for the MDRestartFrequency keyword.

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 263 bytes
Desc: OpenPGP digital signature
URL: <http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20131212/f969b875/attachment.sig>

More information about the DFTB-Plus-User mailing list