[Octopus-users] Question on point charges

[Pablo García Risueño]

Hello
I would like to know if you can help me to write a .pdb input for octopus
that properly includes point charges. Need I write ATOM, HETATM or anything
else at the beginning of the row including information about any point
charge? I have writen a dummy pdb file (attached) that does not look like
work fine
Thank you very much

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Pablo García Risueño

Instituto de Biocomputación y
Física de los Sistemas Complejos (BIFI)

Departamento de Física Teórica
Universidad de Zaragoza
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