[AMBER] MMPB(GB)SA: two questions

From: George Tzotzos <gtzotzos.me.com>
Date: Sat, 03 Mar 2012 14:05:05 +0100

Hi everybody,

I'd like to ask if any can shed light on the following:

1. Is there any study comparing ΔGs obtained form MMPBSA and MMGBSA to experimental values?

2. Are ΔGs obtained from one or very few trajectory snapshot reliable? This because clustering analysis produces on occasions clusters with 1 or very few members.

Thanks in advance for any suggestions


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Received on Sat Mar 03 2012 - 05:30:02 PST
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