[gmx-users] Group file

[Anton Feenstra]

Catherine ETCHEBEST wrote:
> 
> Hi
> I would like to use g_enemat tool and I want to define a group file : How
> to do that . I have made a group.dat file with " Protein" on the first
> line and SOL on the second line but I obtain a segmentation fault when I
> use this file with g_enemat
> Has anyone got an idea ?

Yes - this is one of the archaic Gromacs file formats: it expects
on the first line  a number which is the number of lines in the
rest of the file, so if your group.dat file would contain (without
the --bof-- and --eof-- markers):
--bof--
2
Protein
SOL
--eof--
it would probably work.


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
| |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
|  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "Confirmed" (Star Trek)                                   |
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