Re: [AMBER] how to add Mg2+

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Fri, 28 May 2010 19:26:39 +0530 (IST)

Thank you so much now i am able to add Mg2+ in my protein.

> On Thu, May 27, 2010 at 1:44 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> To neutralize:
>>
>> > addIons enzyme MG2 0
>>
>> Not sure what happens if the solute has odd charge.
>>
>
> It truncates the left-over charge (i.e., it'll add enough ions to bring it
> down to a -1 charge).
>
> It added 0 MG2 ions to an ASP residue (-1 charge).
>
> All the best,
> Jason
>
>
>> Bill
>>
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>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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>


Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH

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Received on Fri May 28 2010 - 07:00:03 PDT
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