jayant james wrote:
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?
It's probably a visualization artefact of some atoms being reordered at
some point.
Mark
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