I want to remove the waters also ....
I looked the the box command in ptraj but it doesnt remove waters ...
Carlos Simmerling wrote:
> you can modify the box dimensions directly in the coordinate file.
> do you just want to change the box edge or actually remove some
> of the water too?
>
>
>
> Vlad Cojocaru wrote:
>
>> Dear Amber users,
>>
>> I created a box around a solute (loaded as pdb) using "solvatebox sol
>> TIP3PBOX {0 20 0}". However, I need to cut out from this box about 5A
>> from each side of the x and y directions and about 10A from 1 side of
>> the z direction. Is there any tool in Amber that can do that?
>>
>> Thanks
>>
>> vlad
>>
>>
>>
>>
>
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--
Dr. Vlad Cojocaru
EML Research gGmbH
Molecular and Cellular Modeling Group
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg, Germany
Phone: +49-6221-533266
Fax: +49-6221-533298
e-mail: Vlad.Cojocaru.eml-r.villa-bosch.de
http://projects.villa-bosch.de/mcm/people/cojocaru/
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Received on Wed Aug 09 2006 - 06:07:12 PDT
