[gmx-users] a query....
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
make_ndx is a tools that allows one to generate indexes.
Here different parts of the protein.
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