I have 30 angs protein-solvent system and I want to extract s small cluster consists only protein, and water molecules of 3 angs from the surface of the protein.
while using this command,
define sol1 sele (segid PROA .around. 3.0 ) end
Although the command prints water molecules from 3 angs from surface of the protein, It has some of the water residues with only single atoms H1 , H2, OH2, and some of them prints double atoms "a) H1,H2 2)H1,OH2 3)H2,OH2 combinations.
How to avoid such "single and double atoms of water residues".