[gmx-users] Ice box

[Erik Lindahl]

Hi,

1. Download the source tarball of Gromacs, and compile it according  
to instructions.
2. Go to gromacs-3.3/src/contrib
3. Type "make mkice"
4. Done!

Cheers,

Erik

On Oct 24, 2005, at 10:14 AM, Fernando Mattio wrote:

>    Hi Erick,
>    I searched in my src directory on my computer and there is no  
> mkice file, I also searched it in contributions folders but I couldn 
> ´t find... So is there any other way to download this make mkice  
> file? Is it avaiable somewhere?
>
>    Thank you very much in advance.
>    Fernando Mattio
>
> 2005/10/11, Erik Lindahl <lindahl at sbc.su.se>:
> Hi,
>
> I fixed the mkice program so it compiles, just before releasing
> version 3.3.
>
> Go to src/contrib, and issue "make mkice". Then run "mkice -h" to get
> help on creating ice crystals.
>
> Cheers,
>
> Erik
>
> On Oct 10, 2005, at 3:59 PM, Fernando Mattio wrote:
>
> > Dear gromacs users,
> > I would like to know if it is possible with gromacs to create a box
> > not with water and protein, but only with ice. I couldn´t generate
> > a topology of the ice in the prodrg sever, and the command pdb2gmx
> > didn´t work... So I am wondering if it is possible...
> > Many thanks in advance,
> > Fernando Mattio
> > _______________________________________________
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>
> -----------------------------------------------------------
> Erik Lindahl  <lindahl at sbc.su.se>
> Assistant Professor, Stockholm Bioinformatics Center
> Stockholm University, SE 106 91 Stockholm
> Phone: +46 8 5537 8564     Fax: +46 8 5537 8214
>
>
>
>
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-----------------------------------------------------------
Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214




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