[gmx-users] ngmx. molecules or atoms numbers?

[Xavier Periole]

On Tue, 24 Jun 2008 10:26:27 +0300
  Vitaly Chaban <vvchaban at gmail.com> wrote:
> What numbers (of molecules or of atoms?) should contain 'index.ndx' in
> 
atoms
> "ngmx -n index.ndx"  ?
> 
> 
> When using 'index.ndx' with molecules numbers it seems to read it as
> those of atoms and when using 'index.ndx' with atoms it just refuses
> to start (the section appeared in display->filter is inactive, I can't
> select it to proceed).
> 
> Anyway, it there a way to make it take atom numbers?
> 
> Thanks.
> 
> -- 
> Vitaly V. Chaban
> School of Chemistry
> National University of Kharkiv
> Svobody sq.,4, Kharkiv 61077, Ukraine
> email: chaban at univer.kharkov.ua
> skype: vvchaban
> 
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-----------------------------------------------------
XAvier Periole - PhD

NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
-----------------------------------------------------