[gmx-users] How to freeze the atoms at some specific area

[Jia-Lin Lo]

Let me make myself clear. I have a gro file
( for example, spc216.gro). If I want to freeze one side of 
this cubic system. How should I write down the atom 
numbers for this freeze group.   It's easy to write down 
the atom numbers manually in this case. I just watch the 
whole structure and mark the atoms at the same side.
What should I do if this system is too large to be marked 
by eyes.

Jia-lin


> I'm not sure, what you exactly want to do.
> Please give more details.
> 
> Jia-Lin Lo wrote:
> > Dear gmx users;
> >      If I need to freeze the atoms at some
> > specific areas. How should I write down the
> > atom number for this group. I have tried  make_ndx and I think it can 
> > just recognize
> > the names of the atoms and residues. But it
> > cannot tell me the atom number at some areas.
> >     Any help or suggestions will be appriciated.
> > Thanks in advance.
> >  
> > Jia-lin
> > ==============================================================
> > Jia-lin LO
> > Dept. of Physics ,National Central University,
> > Chung Li , Taiwan,
> > e-mail : jllo at phy.ncu.edu.tw <mailto:jllo at phy.ncu.edu.tw>  Home page: 
> > http://pooh.phy.ncu.edu.tw/~jllo/
> > ==============================================================
> 
> -- 
> Christoph Freudenberger
> Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.