Re: [AMBER] how to add Mg2+

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Fri, 28 May 2010 19:29:48 +0530 (IST)

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

> In leap (tleap, sleap, xleap), you should be able to use the command:
>
> addIons enzyme MG2 10
>
> This would add 10 Mg2+ ions around a structure with name enzyme.
>
> -Bill
>
>
> On Thu, May 27, 2010 at 1:21 PM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
>>
>> Hello all
>>
>> I am simulating restriction enzyme using amber10,i want to simulate it in
>> presence of Mg2+.
>> So can anybody sujjest me to how add Mg2+.
>>
>>
>> With regard
>>
>> Sangita Kachhap
>> JRF
>> BIC,IMTECH
>> CHANDIGARH
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Bill Miller III
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-6715
> _______________________________________________
> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
>


Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH

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Received on Fri May 28 2010 - 07:30:05 PDT
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