Re: [AMBER-Developers] ioutfm = 0

From: Jason Swails <jason.swails.gmail.com>
Date: Sat, 27 Feb 2016 00:40:19 -0500

On Sat, Feb 27, 2016 at 12:24 AM, Hai Nguyen <nhai.qn.gmail.com> wrote:

> Never mind, I think you meant to reply to Gerald but actually quoted me.
>

‚ÄčI was anticipating the argument that you would only have to store *one*
uncompressed ASCII trajectory at a time (since you'd compress before
writing another one), so you'd still get net savings in disk space. But
you pay for that disk space savings by sacrificing data (and in some cases,
trajectory integrity).

Your point is certainly valid that Amber can't write compressed ASCII
trajectories directly (cpptraj can :)). All told, the benefits of ioutfm=1
*far* outweigh the benefits of ioutfm=0. ioutfm=1 is a much more sensible
default.

Sorry for the confusion,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Fri Feb 26 2016 - 22:00:03 PST
Custom Search