Hi all! I am attempting to counter a charge of -13 in a simulation, where the protein is solvated in water. I use the genion option and choose to replace 13 solvent (water) atoms. Upon visualizing the genion output structure, I find that some atoms from three of the eight cys ( a Hydrogen and two sulphur atoms ) have be yanked out of the protein! I wonder why this is happening!! Is there a way to rectify this? Thanks Jayant James
-- Jayasundar Jayant James www.chick.com/reading/tracts/0096/0096_01.asp)
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