Re: adding extra ions to neutralize charge on protein

From: Anahita Tafvizi (atafvizi_at_fas.harvard.edu)
Date: Thu Oct 19 2006 - 12:30:02 CDT

5.15182276334e-06 is a very small number, you don't need to worry about it,
your system is naturalized.

Anahita

On 10/19/06, Dhiraj Srivastava <dhirajks_at_gmail.com> wrote:
>
> Hi all
> i have calculated total charge on my protein using script
> get_total_charge.tcl available on http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/total_charge/
> . I am getting charge of 5.15182276334e-06. does it looks ok to you?
> should i add that much of chloride ion to my system? how can i do that? i
> mean is there any option in solvate or psfgen script to add extra ions? I
> know that there is option in VMD.
>
> thank you.
>
> --
> Dhiraj Kumar Srivastava
> Department of Chemistry
> University of Missouri-Columbia
> MO, 65211
>
>

-- 
-- 
Anahita Tafvizi
PhD Candidate
Lyman 535
Physics Department
Harvard University
17 Oxford Street
Cambridge, MA 02138

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