> On Feb 12, 2015, at 9:29 AM, George Tzotzos <gtzotzos.me.com> wrote:
>
> I conducted a single trajectory MMGBSA calculation. The results are shown below.
>
> The MD simulations were carried out for 100ns. The complex, a homodimer, was stable. The STD seems to me to be extremely high.
The standard deviation of what? The total? Or the gas/solv and EEL/EGB?
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Feb 12 2015 - 07:00:04 PST
