[gmx-developers] g_whom working code

[Guillem Portella]

Hi all,

While trying to use g_wham I badly discovered that the tool, as implemented in 
the stable release or CVS code, is broken. Searching in the mailing list I 
found that this is not a new problem. 

Don't want to be nasty at all, but I don't really understand how a piece of 
non-working code could be released in the stable version, and how it can 
still be in CVS (really, have a look at the source and you'll discover that 
the reading routine is impossible to parse a file with it). I guess that most 
people just fix it for themselves. 

I saw David Bostik's offer of his g_wham code and I would like to report on 
that. The code works just fine, at least it seems to work for my purposes. So 
I encourage the developers to consider updating the CVS code with the working 
code from David. 

All the best and thanks fo all,

Guillem

*******************************************************
 Guillem Portella 
 Computational biomolecular dynamics group at the 
 Max Planck Institute for Biophysical Chemistry 
 Am Fassberg 11 
 D-37077 Goettingen -- Germany --
 phone: ++49-551-2012309 
 fax: ++49-551-2012302 
 Email: gportel at gwdg.de 
*******************************************************