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