[gmx-users] Different Lipids into one Moleculetype (for position restrain)

[Jan Marzinek]

Why dont you create index files of whatever types you want and then just use in your mdp:

freezgrps (from index) and the corresponding directions N N Y

Jan

On 18 May 2012, at 20:56, "Ricardo O. S. Soares" <ross_usp at yahoo.com.br> wrote:

> Hi everybody,
> 
> I'm working with a mixed membrane for the first time (POPC+POPE), and I want to restrain the all phosphors  (only Z axis). 
> However they belong to different [ moleculetype ] (ie. POPC and POPE), and GROMACS does not restrain more than one molecule type at a time.
> What implications would I have should I set both "POPC" and "POPE" to "Lipid", however in different itp files.
> Does anyone know a more elegant solution?
> 
> Thanks
> 
> Ricardo.
> 
> 
> ---
>  
> Ricardo O. S. Soares , PhD Student.
> Group of Biological Physics - Department of Physics & Chemistry
> Faculty of Pharmaceutical Sciences at Ribeirão Preto - University of São Paulo.
> Av.do Café, S/N - ZIP:14040-903 - Ribeirão Preto, São Paulo,  Brazil.
> Phone: +55 16 36024840.
> 
> Curriculum Lattes: http://lattes.cnpq.br/0777038258459931
> ross_usp at yahoo.com.br,rsoares at fcfrp.usp.br
>  
> 
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120518/6e1b7432/attachment.html>