Dear Gromacs users!
I'm simulatting membrane receptor in the explicit membrane surrounded by water. Durring this MD run I've noticed that individual waters move into the receptor interiour from the surroundings leaflets ( In my case mainly from upper leaflet). How I could examine dynamics of such burried waters ( e.g calculate wich exactly water mollecule moves into protein interiour and on what timescale this dynamics is observed ) as well as obtain time-life of such burried water into the receptor interiour? Also I wounder to know if it possible to obtain information about dynamics non-covalent interactions of such water ( define interaction residues with such water ) Thanks for help, James
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