[gmx-users] Density profile for COM of residues

[Ali Alizadeh]

Dear Hamid,

Thank you for your reply.

I have had this question in dl_poly for analyzing my outputs but I could
not do it. I could not compile related code.

Now, I want to analyze my outputs from gromacs. I think there are not any
post processing options in gromacs for doing this. Am I right?

Besides, In VMD I have written a tcl code for doing it but I can extract
every COM in every frame. So I do not know how I can implement

time averaging.




Hamid wrote:

Dlpoy or gromacs?


On Mon, Dec 30, 2013 at 3:49 PM, Ali Alizadeh <ali.alizadehmojarad at gmail.com
> wrote:

>
> Dear All users,
>
> I want to calculate the number density profile for COM of my residues.
> They are located
>
> on a surface. Are there any options for counting COMs respect to that
> surface?
> --
> Sincerely
>
> Ali Alizadeh
>
>


-- 
Sincerely

Ali Alizadeh
University of Tehran
College of engineering(Fanni)
Department of chemical engineering
IPE (Institute of Petroleum Engineering)
M.Sc Candidate, class of 2013
B.Sc Graduate 2011(University of Tehran,Fanni)