[gmx-users] extracting water molecules from trajectory

[Kay Gottschalk]

thanks, works:) Would be neat to have the protein-water distance as  
b-factor in the output-pdb - where would I have to change things to get  
that done?
Cheers,
K.

On May 19, 2004, at 5:15 PM, David van der Spoel wrote:

> On Wed, 2004-05-19 at 15:58, Kay Gottschalk wrote:
>> Hi all,
>>
>> I recently read something in the discussion list about extracting  
>> water
>> from a trajectory that is in a certain distance to the protein.
>> Unfortunately I can't find it anymore. Could you please update me on
>> how to do that?
> trjorder
>> Thanks,
>> K.
>>
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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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