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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