[gmx-users] Limiting amount of data Gromacs prints out

[Mark Abraham]

On Sat, Aug 9, 2014 at 5:05 PM, Jackson Chief Elk <jchiefelk at gmail.com>
wrote:

> Hi,
> Gromacs is printing out WAYY more data then there is available on my small
> cluster at UCSC.  I just need position data from each simulation time step
> for the analysis I want to perform.  Is there a way that does not involve
> hacking the source code to set mdrun to print out ONLY the *.xtc file?
>

mdrun is writing what you planned for it to print with your .mdp file. :-)
See
http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume

Mark


> Cheers,
> Jackson
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