Hi!
i do solvte box, then use addions2. i found that the three crystallographic
waters move to just after the ions i added (in the pdb file), but before the
tip3 water atoms in the box. why not open the pdb in a program such as
pymol or chimera and select the waters you suspect are your crystallographic
waters by residue number? Hope this helps.
best regards,
GT
On 30 March 2011 11:14, Sangita Kachhap <sangita.imtech.res.in> wrote:
>
> But I have to add TIP3P water.
>
> >> That means WAT molecules just after the Na+ are crystal water?
> >>
> >
> > They should be crystal if you did not add extra waters by solvatebox
> >
> >
> > --
> > Dmitry Nilov,
> > Faculty of Bioengineering and Bioinformatics,
> > Lomonosov Moscow State University
> >
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>
>
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
>
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Received on Wed Mar 30 2011 - 10:00:02 PDT
