> > 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 :)
Thanks! João [...] Rodrigues http://doeidoei.wordpress.com
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