[gmx-developers] multiple xtc output files (optionally in chunks)

Bert de Groot bgroot at gwdg.de
Fri Oct 19 17:33:10 CEST 2007

Berk Hess wrote:

> How many different time scales could one have?
> A solution which I actually did use (so now I do remember having needed
> something
> like this) is applying trjconv after each 24 hour queue run to select
> the parts
> of the xtc files I wanted at different frequencies.
> So would 2 be enough?

I'd estimate that two is enough for most practical purposes. But if it's not
much more complicated to implement it in a fully flexible way, then I'd prefer that.


Bert de Groot, PhD

Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
37077 Goettingen, Germany

tel: +49-551-2012308, fax: +49-551-2012302

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