From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Thu Oct 19 2006 - 13:50:59 CDT
Hi all
I have another system which has charge of 2 electron. i am adding 2
Na ion to neutralize this. is it correct? also I think after adding ions, i
should follow same steps as i follow without ions added. i mean energy
minimized and equilibrate it with same procedure.
Thanks
On 10/18/06, Leonardo Trabuco <ltrabuco_at_ks.uiuc.edu> wrote:
>
> On Wed, Oct 18, 2006 at 09:57:28PM -0500, Dhiraj Srivastava wrote:
> > Hi all
> > is there any way to find charge on my protein after generating
> > structure file through psfgen? i want to know charge on my protein so i
> can
> > add extra ions to neutralize it.
>
> This small VMD script does this:
> http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/total_charge/
>
> Best,
> Leo
>
> --
> Leonardo Trabuco, Ph.D. student
> Theoretical and Computational Biophysics Group
> University of Illinois at Urbana-Champaign
>
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211 Ph. no. 001-573-639-0153
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