[gmx-developers] Bug 597 and previous diff: any hint to a confused gromacs source code newbie?

ms devicerandom at gmail.com
Thu Nov 11 20:59:19 CET 2010


I have to correct bug 597. To understand if and why, the bugzilla thread 
and the thread on the users mailing list:
can help :)

Now, I am trying to make sense of it, but before I noticed that Michael 
Shirts has indeed already tried to fix the code. However the commit was 
part of a huge "mistake" commit from a personal branch, as evidenced in 
this mail:


Now, what I can't make sense of, are:

1)Is that patch fine to fix bug 597?

2)Is it enough for me to gather from that commit the dihres.c and 
possibly the (new) functions it calls, and go from there, or is there 
someone (possibly the author) who can explain me what are also the 
relevant parts to patch? It seems to me that it changes quite a lot in 
the file and I don't think I understand it all.

Thanks a lot. While I am an acquainted Python programmer, I have little 
C experience and none with Gromacs source, so bear with me!

Yours truly,
Massimo Sandal, Ph.D.

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