Re: [AMBER] Low energy path

From: Hector A. Baldoni <hbaldoni.unsl.edu.ar>
Date: Wed, 21 May 2014 19:22:10 -0300 (ARGSL-ST)

Dear James,

Thanks for your help, I appreciate it.

Best wishes,
Hector.

> Assuming you have the open and closed states, see
> http://ambermd.org/tutorials/advanced/tutorial5_amber11/
>
> James
>
>
> On Wed, May 21, 2014 at 8:40 AM, Hector A. Baldoni
> <hbaldoni.unsl.edu.ar>wrote:
>
>> Dear Amber users,
>>
>> My goal is obtain the low energy conversion path between to states
>> (open/close) of a protein. Could I use TMD to do it? Which method
>> included
>> in amber would allow me to propose a low energy conversion path between
>> states?
>> I would highly appreciate any advice or reference.
>>
>> Greeting,
>> Hector.
>>
>>
>> --------------------------------------
>> Dr. Hector A. Baldoni
>> Area de Quimica General e Inorganica
>> Universidad Nacional de San Luis
>> Chacabuco 917 (D5700BWS)
>> San Luis - Argentina
>> hbaldoni at unsl dot edu dot ar
>> Tel.:+54-(0)266-4520300 ext. 6157
>> --------------------------------------
>>
>>
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>>
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>


--------------------------------------
 Dr. Hector A. Baldoni
 Area de Quimica General e Inorganica
 Universidad Nacional de San Luis
 Chacabuco 917 (D5700BWS)
 San Luis - Argentina
 hbaldoni at unsl dot edu dot ar
 Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------


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Received on Wed May 21 2014 - 15:30:02 PDT
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