Please be patient. AMBER developers are in the annual meeting so we might
delay in responding.
cheers
Hai
On Thu, Feb 16, 2017 at 10:02 PM, Mary Varughese <maryvj1985.gmail.com>
wrote:
> Sir,
>
> Below is the result i got for a receptor ligand system in mmpbsa
> binding energy calculation. enthalpy and entropy parts. Could any one
> help me, how to calculate the uncertainty part in delta G from this
> result?
>
> Also how could i include the uncertainty or error in hbond distance
> (receptor ligand hbond) calculation obtained using ptraj on a complex
> trajectory. Could i include error if i calculate hbond distance on a
> single representative structure in vmd?
>
>
> # DELTA
> # -----------------------
> # MEAN STD
> PBTOT -26.39 3.02
>
>
>
> # DELTA
> # -----------------------
> # MEAN STD
> # =======================
> TSTOT -19.94 7.37
>
>
>
> Thanking you
>
>
> mary varughese
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Received on Thu Feb 16 2017 - 19:30:03 PST
