[gmx-users] Chemical potential of protein

Steven Neumann s.neumann08 at gmail.com
Tue Apr 24 11:34:01 CEST 2012

Dear Gmx users,

Will standart Widom technique to calculate the chemical potential (e.g. for
water where we introduce extra water molecule and the interaction energy is
compared using integrator: tpi) for the protein in vacuum? So in this case
shall I introcuce extra protein and do it as with water?

Thank you

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