[gmx-users] genion in gromacs 3.3.1

[Miguel Ortiz Lombardia]

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>
>> You can try -norandom. I was under the impression that the potential
>> based placement was broken (had been for a while).
>
>

Hi David,

Thank you very much, the command line option -norandom did work and
placed the cations in the same place as the older (3.3) version of genion.

Well, I can tell for sure, but I am inclined to think that the cations
are placed in reasonable positions.

Sorry, I was useless at not having noticing the option in program
description. Perhaps de default moved from 'norandom' to 'random' with
the new version.

Cheers,

Miguel
- --
Miguel Ortiz Lombardía
Centro de Investigaciones Oncológicas
C/ Melchor Fernández Almagro, 3
28029 Madrid, Spain
Tel. +34 912 246 900
Fax. +34 912 246 976
email: molatwork at yahoo.es
www: http://www.ysbl.york.ac.uk/~mol/
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                                                       Georges Brassens
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