[gmx-users] a query....

X.Periole X.Periole at rug.nl
Sun Jan 29 13:33:02 CET 2006

On Sun, 29 Jan 2006 15:45:46 +0530
  "meetmaagi" <meetmaagi at indiatimes.com> wrote:
> Dear gmxusers,
> i want to analyse the energy profiles of different 
>regions of protein (say active site, regions that 
>triggers the active site) with respect to one another and 
>also with the solvent (another energy group) at each 
>instant of time.
> For that, i think i need to define different regions of 
>protein as different energy groups to compare the results 
>between these groups.
> How to create an index file or other sort of things for 
>the same?
make_ndx is a tools that allows one to generate indexes.
Here different parts of the protein.


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