<div dir="ltr"><br>Thank you Justin.<br><div class="gmail_quote"><div> </div><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">sudheer babu wrote:<br>
> Hi all,<br>
> I want to ask two questions<br>
> 1.I am interested to calculate electron density of -CH3 group of popc<br>
> bilayer, Is it require to consider (CH3)3 surround by N and CH3 at<br>
> tails also or consider CH3 at tails only?<br>
<br>
That depends entirely upon what you are looking to examine. Do you want the<br>
density at the innermost point in the bilayer, or a combination of all -CH3<br>
groups in the system?<br>
<br>
><br>
> 2. I have calculated electron density of PO4, water, N(CH3)3 groups of<br>
> popc, gromacs calculated the density values in units of kg/m\S3\N, but<br>
> in literature the values in the units (atoms/nm3), Can I plot directly<br>
> the values with kg/m\S3\N or have I converted this to nm3 ?<br>
<br>
You can make the transformation if you like; the other common representation of<br>
density that I often see is electron density, which g_density will give you if<br>
you provide a proper electrons.dat file.<br>
<br>
-Justin<br>
<br>
> Could you clear me regarding this questions<br>
> Thanks in advance for help.<br>
><br></blockquote></div><br></div>