[gmx-users] trjconv -drop options
Gregory Man Kai Poon
gpoon at gsu.edu
Tue Jun 11 16:12:16 CEST 2019
Hi all:
I am trying to use the gmx trjconv -drop options to pull frames
according to criteria in the Y column of an .xvg output (e.g.,
rmsd.xvg), and I am unable to find documentation beyond the command
reference. It sounds like one specifies the file with -drop and and
then use -dropover and -dropunder to specify a range, presumably in the
Y value, but it does not actually say. I am unable to figure out what
the mechanics of these parameters are, as trial values based on the
sample Y columns produce unexpected selection of frames. If anyone can
share their experience, that would be great.
Many thanks,
Gregory
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