From: paul.dalhaimer_at_yale.edu
Date: Thu Jul 13 2006 - 15:12:06 CDT
When solvating, make sure that the distance between non-hydrogen atoms of the
protein and the oxygen of the water molecules is 2.4 Ang for waters closest to
the protein. You may also want to look at the water molecules in the crystal
structure (if they exist) and compare their positions -qualitatively - to your
final solvated protein.
Quoting griadi_at_utalca.cl:
> Check the solvate plugin in VMD.
>
> Cheers,
> Gonzalo.
>
> Mensaje citado por a-yermakova_at_northwestern.edu:
>
>>
>> This may be a trivial question. To solvate a protein, the tutorial says one
>> needs to alreayd have a
>> pdb and psf files of a water box alone. How does one create a water box
>> alone?
>> Thank you,
>> Anya
>>
>>
>>
>>
>
>
>
>
> -------------------------------------------------
> Este mensaje fue enviado por: http://webmail.utalca.cl
>
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