On Tue, 24 Jun 2008 11:24:46 +0300
Vitaly Chaban <[EMAIL PROTECTED]> 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 <[EMAIL PROTECTED]> 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: [EMAIL PROTECTED]
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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