[gmx-users] dynamic indexing

[Anton Feenstra]

Christoph Freudenberger wrote:
[...]
> AFAIR this is the way exclusions are stored,
> so if the tool reads a tpr, I could use the exclusions table
> to get the "residue lists" i need, right?

Right - almost anything to do with lists of groups of atoms
(exclusions, index files etc.) are stored as 'blocks'. It's
not difficult to create one of your own with the routines
from gmxlib. IIRC, there is a file include/blocks.h (and,
perhaps also include/types/blocks.h) where these are defined.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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