[gmx-users] Re: gmx-users Digest, Vol 10, Issue 9

[David van der Spoel]

On Mon, 2005-02-07 at 15:21 +0000, Binbin Liu wrote:
> > You should edit the ions.itp file and put the position restraint in
> > there. The number in the position restraint is the index in the molecule
> > type, for an ion you can there for only select 1.
> 
> What if I have different position_restraints to the same type of ions but 
> different ion residues in the simulation system?
Then you have to duplicate the stuff and have e.g. Na-A and Na-B ions.
> 
> Binbin
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++