Re: Do we need to renumber atoms after solvate?

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Mon Jul 09 2007 - 00:33:59 CDT

Hi Arun,
if you're looking at the final output from solvate, it should have
consecutive atom numbering in both the psf and pdb (and they should be
consistent). Can you confirm that for your case? There's no need for
residue numbering to be consecutive.
Peter

Arun Krishnan wrote:
> Hi All,
>
> I find that "solvate" does not number the water atoms consecutively.
> Do I need to write a script to
> renumber the atoms and residues so that they are consecutive? Or is it
> fine just the way it is?
>
> Thanks,
>
> Arun
>
> --
> ***********************************************
> Arun Krishnan, Ph.D,
> Assistant Professor,
> Institute for Advanced Biosciences,
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