[gmx-users] Re:

[sudheer babu]

Thank you Justin.


> sudheer babu wrote:
> > Hi all,
> > I want to ask two questions
> > 1.I am interested to calculate electron density of -CH3 group of popc
> > bilayer, Is it require to consider (CH3)3 surround by N  and CH3 at
> > tails also or consider CH3 at tails only?
>
> That depends entirely upon what you are looking to examine.  Do you want
> the
> density at the innermost point in the bilayer, or a combination of all -CH3
> groups in the system?
>
> >
> > 2. I have calculated electron density of PO4, water, N(CH3)3 groups of
> > popc, gromacs calculated the density values in  units of  kg/m\S3\N, but
> > in literature the values in the units (atoms/nm3), Can I plot directly
> > the values with kg/m\S3\N or  have I converted this to nm3 ?
>
> You can make the transformation if you like; the other common
> representation of
> density that I often see is electron density, which g_density will give you
> if
> you provide a proper electrons.dat file.
>
> -Justin
>
> > Could you clear me regarding this questions
> > Thanks in advance for help.
> >
>
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