[gmx-users] Merge pdb files into single box
Javier Luque Di Salvo
jluquedisalvo at gmail.com
Thu Sep 20 16:28:51 CEST 2018
Browsing in the past threads I found that previous versions had the 'cat'
tool to merge two (or more) pdb structure files. I was wondering if this
tool is still available in current versions? I am using version 5.0.7
The pdb structures I would like to merge are very different from each other
and not-bonded among them, all I need is to put them inside the same
simulation box with no overlapping. Since the systems are quite big, I
would like to avoid manual manipulation with a molecular editor. A few
tests with trjcat gave me error because the systems are of different
composition, maybe I need to use trjcat with further options?
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