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

[Xavier Periole]

On Tue, 24 Jun 2008 11:24:46 +0300
  Vitaly Chaban <vvchaban at gmail.com> wrote:
> Xavier,
> 
> Thank for a clarification.
> 
> Don't you have any ideas why 'ngmx' can have display->filter dialog
> inactive? Except the case when index-file in wrong-formatted?
No idea! Never used ngmx. Although it seems to be useful for many people
I think VMD is much more powerful and as quicker in reading trajectories.
> 
> XP> On Tue, 24 Jun 2008 10:26:27 +0300
> XP>   Vitaly Chaban <vvchaban at gmail.com> wrote:
>>> What numbers (of molecules or of atoms?) should contain 'index.ndx' in
>>> 
> XP> 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
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