[gmx-users] ref_tau error message

[Anton Feenstra]

Marian Zlomislic wrote:

> Hi Maria,
> Index files are specific to the system that you're studying.
> 
> you can use:
> 
> make_ndx -f x.gro -o index.ndx 
[...]

The format, however, is very simple and it is not much work to write a
small script to select certain specific groups of atoms yourself.
The file should contain:
[Group_name]
1 2 3 4 5

I.e., a line with a name between [] brackets, followed by any number of lines
with atom numbers (spaces inbetween). This you can repeat as often as necessary
in the .ndx file.

-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "If You See Me Getting High, Knock Me Down" (RHCP)    |
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