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

[Bert de Groot]

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

______________________________________
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
http://www.mpibpc.mpg.de/groups/de_groot