[gmx-users] Re: periodic molecule

Valentina valentina.erastova at durham.ac.uk
Wed Sep 25 12:36:26 CEST 2013


OK seems it is my self-post, but incase anyone finds it, so they are not
mislead by the above.

After few more trial and fails, I think currently there is no tool to
assemble a periodic system from "residues". So neither the approach with
specbonds, nor the periodic_molecule work for this case. Hence, it has to be
scripted (doing it now). Periodic_molecule works only for the final slab of
system.

Best,
V

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