[gmx-users] Re: XTC file not being created, while TRR file is

João Rodrigues anaryin at gmail.com
Fri Jan 7 20:06:53 CET 2011

> Hi João, I don't remember EM runs ever producing .xtc files, maybe to
> prevent people to use them when "grompp'ing" in the next step. (they're at
> much lower precision)
> Anyway, that would be nice in case you want to see what's going on during
> EM.
Thanks for the answer Diego, indeed I thought of that but since my trr file
was not getting any shorter (even with all the options turned off) I thought
there was a mistake. I ended up reducing the size using the exact same
options as above (without xtc part) and using -compact in mdrun. Also, I
think there was an issue with my csh session that was no matter what changes
I did to the mdp file, they were not being reproduced. I reset the terminal
and it worked better. 300MB is better than 2GB :)


João [...] Rodrigues
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