Re: [AMBER] counting ions - doubt-urgent

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 26 Jul 2017 09:55:39 -0400

Hi,

It is recommended in most cases that you use 'autoimage' in place of
the 'center' and 'image' commands.

-Dan

On Wed, Jul 26, 2017 at 6:05 AM, Mary Varughese <maryvj1985.gmail.com> wrote:
> Hi
>
> I have some ions related doubts
>
> *Is it possible to count Na+ ions with in the 3.6 A distance of atoms
> specified with in a mask?
>
> *In the below command does ions also get imaged along with water (I want to
> do grid analysis of Na+ ions)
>
> center :1-12 mass origin
> image origin center familiar
> center :1-24 mass origin
> image origin center familiar
>
>
> Thanking you
>
>
> mary
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 26 2017 - 07:00:05 PDT
Custom Search