[gmx-users] Overlapping frames within one .xtc

Sergio Perez sperezconesa at gmail.com
Wed Aug 15 10:44:10 CEST 2018


Dear GMX comunity,

I would like to know if a run is interrupted abruptly (killed by the user)
and then is restarted with -append option, is there any chance that
overlapping frames are generated within the .xtc file?

If this were to happen, would
 gmx trjcat -f trj.xtc -o trj2.xtc -overwrite

solve the problem?

Thank you all very much in advance!

Best,

Sergio Pérez-Conesa


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