[gmx-users] Group file

[Anton Feenstra]

Catherine ETCHEBEST wrote:
> 
> Thank you for you answer but I have put the number of lines at the 
> beginning + Protein+ SOL on the
> others but it still doesn't work: same segmentation fault. The file .edr I
> use is valid with g_energy

g_enemat will depend on the presence of certain energy groups in your
.edr file. In your case, it will look for Protein-SOL (and possibly
Protein-Protein and SOL-SOL), from which it builds the matrix.
Indeed, if I try with names that don't match I get a segfault also.

This is not mentioned in the manual pages, I'll add it, thanks ;-)

> Cathy

-- 
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  |
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|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
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