[gmx-users] Ice box

Erik Lindahl lindahl at sbc.su.se
Tue Oct 11 00:39:45 CEST 2005


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.



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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