[gmx-users] programming gromacs

[m b]

dear all,

I would like to try to implement a couple of new features/modifications
into Gromacs. However, I found that the code is, mildly put, rather
complex. I wonder if any kind of documentation about the source code
itself (as opposed to the usage of gmx) is avaiable ?? 

Particularly helpful would be info on:
*) general structure and hirarchy of the subroutines
*) definition and scope of the most important variables and pointers
   (I presume that some variables are global due to performance
   reasons, aren't they ?)
*) definitions of the structures used in gmx.

This would make it much easier to implement any 
changes/additions, for me and probably everybody else who 
might consider attempting this.

In the Developer FAQ under "Is there a developers manual for Gromacs?"
some projects are mentioned ... Gerrit Groenhofs "Gromacs Sheets"
are interesing but too brief to be really helpful,
and the link to Justin MacCallum is dead.

cheers,
Michael





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