[gmx-users] radius of gyration taking bound water into account

[Fabrizio Mancinelli]

Dear users,
in computing radius of gyration of a protein in water (g_gyrate), I have 
found values that are rather smaller than what found experimentally, maybe 
because bound water isn't taken into account within g_gyrate routine. Is 
there any way to overcome this limitation?
Thanks in advance,
Giovanni

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