Is there a way for maesubset to skip the N last structures?

Not directly. The following simple bash script should do what you want (you can name it maesubskiplast.sh, for example):

#! /bin/bash
END=$((`grep f_m_ct $1| wc -l` - $2))
$SCHRODINGER/utilities/maesubset $1 -n 1:$END

The usage would be:

maesubskiplast.sh file.mae N

where N is the number of structures to skip at the end.

Keywords: maesubset, skip, structures

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