Re: Solvating protein with ions

From: Stephen Hicks (sdh33_at_cornell.edu)
Date: Wed Jun 06 2007 - 17:14:50 CDT

Barry,

You might look into the autoionize package,

http://www.ks.uiuc.edu/Research/vmd/plugins/autoionize/

If your proteins are highly charged, you may need to use the more
sophisticated meadionize package, which selectively places counterions
in the extrema of the electric potential. But this requires some
extra software and a lot of time, so should probably be avoided if
it's not necessary.

-steve

On 6/6/07, B.R.Silver_at_warwick.ac.uk <B.R.Silver_at_warwick.ac.uk> wrote:
> Hi
>
> I would like to solvate a protein with a water box which contains ions
> ,say NaCl salt is added to water .
> How would I go about this
>
> Barry
>
>
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