Dear Amber users,
I wonder if there is way to filter the molecules to be selected while
writing the output trajectory (i.e., with ntwx). I am aware of the 'ntwprt'
to select a set of atoms while writing the trajectories. I wish to select
specific molecules rather than 1 to ntwprt atoms. For e.g. I would like to
keep 'proteins, and 'water' and leave the 'ligand' in between while writing
the trajectories.
Any help would be appreciated
Many thanks
Anu
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Received on Tue Oct 09 2018 - 04:30:02 PDT
