[gmx-users] a query....

[meetmaagi]

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?

thanks and waiting for your suggestions.

radha