[gmx-users] Number of glucose molcules

[Alex]

People dear to my heart have diabetes, so...

If you do not mind my asking, are you a high school student, or are you 
actually a graduate student/postdoc? If it is the latter, please do the 
humanity favor and send me the name of your advisor, because god forbid 
medical research is done by people with gaps in knowledge of this 
magnitude. I know I have been criticized on this forum for being less 
than polite, but if any of us have a shred of integrity, we must do 
something when medical research is concerned.

If you are a secondary/high school student, the answer is below.

The concentration is c = rho/mu, where rho is your density of 240mg/dL = 
2.4 g/L and mu = 180.156 g/mol is the molar mass of glucose. This yields 
c = 0.0133M and c times the volume of the box is 11 molecules of glucose.

Alex


On 9/9/2018 12:28 AM, zaved at tezu.ernet.in wrote:
> Dear Gromacs Users
>
> I have performed a simulation for native protein using gromacs.
> Now I want to add glucose molecules (in order to mimic diabetes condition)
> with eg. 240 mg/dL concentration.
> Can anyone help me with the calculation of the number of glucose molecules
> I need to add?
> The size of the simulation box is 10.98 * 10.98 * 10.98 nm.
>
> I appreciate any kind response.
>
> Regards
> Zaved
>
>
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