[gmx-users] Ice box

[David van der Spoel]

On Mon, 2005-10-24 at 10:14 +0200, 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?
cd src/contrib
make mkice

> 
>    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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-- 
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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