[gmx-users] ref_tau error message
feenstra at few.vu.nl
Tue Nov 2 18:38:49 CET 2004
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:
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.
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | 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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