Hi Charmm users,
I tried to come up with a smart selection to only select the lipids under my protein. Since the protein moves on the X/Y-Plane I had the following plan:
Get the center of mass for my protein, extract the X/Y-Coordinates and select all lipids within 15A of these Coordinates. Is this possible within one selection?
I am interested in the dynamics, density, overall charge, etc.. of the lipids below the protein compared to the lipids outside the selection.
The selection would have to be updated every step. Is this possible with a selection or do I have to iterate every step and save which lipids are at which step under my protein and then calculate ${WHATEVER} separately for this specific residue at the specific steps?
I hope I could make myself clear.
Thanks for any suggestions.
Cheers
Bjoern
