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

Jan Marzinek j.marzinek10 at imperial.ac.uk
Fri May 18 22:49:13 CEST 2012

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


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
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