[gmx-users] output frequency to dgdl.xvg

Berk Hess gmx3 at hotmail.com
Fri Mar 17 18:02:20 CET 2006




>From: "Moore, Jonathan (J)" <JMoore2 at dow.com>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: 'Discussion list for GROMACS users' <gmx-users at gromacs.org>
>Subject: [gmx-users] output frequency to dgdl.xvg
>Date: Fri, 17 Mar 2006 10:51:14 -0600
>
>
>Is there a way to control the frequency of output to dgdl.xvg?  Writing a
>value every timestep is overkill and can waste significant disk space if
>you're simulating many lambda points and many systems.

No.
But I usally don't mind having all those values (I have several 
microseconds).
The files zip quite well though and all Gromacs programs (g_analyze)
can read gzipped files.

Berk.





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