[gmx-users] Freeze groups

[wonghua at netcourrier.com]

The only thing that puzzles me though, is the way the atoms seems to be ordered in the .ndx....
For exemple, the clean.ndx returned by pdb2gmx
[ prot_sort ]
   1    2    5    6    7    8    3    4    9   10   11   12   13   14   17 
  18   19   20   15   16   21   22   25   26   23   24   27   28   31   32 
  33   34   29   30   35   36   39   40   41   42   43   44   37   38   45 

Does it have a reason for putting them in this order? 
I ask this because I know the numbers of the residues I want to freeze, and I think it more convenient to edit an .ndx file myself with the atoms number....

Thanks

Wong Hua

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