From: Jerome Henin (heninj_at_gmail.com)
Date: Mon Feb 16 2009 - 11:18:50 CST
> 2) since the positive charge of the arginine disappears, I guess I need a
> ion to appear in lambda=1?
> In the purest sense, yes. But this is generally not done and results in
> reasonably dG or dA estimates. Further explanation can be provided if
Actually, it would be great if you could provide further explanation,
as this question has surfaced time and again on this list, but has
never, I feel, received a complete and final answer, based on the
specifics of NAMD's PME implementation.
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