Re: [AMBER] PMEMD trajectory and MMPBSA

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Mon, 14 Oct 2013 20:50:07 +0530

 

Thanks Biil for reply

On 2013-10-14 18:03, Bill Miller III wrote:

> Yes, a trajectory generated using either pmemd or pmemd.cuda can be used
> with MMPBSA.py.
>
> -Bill
>
> On Mon, Oct 14, 2013 at 1:46 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
>> Hello I have a query regarding MMPBSA calculation. I want to know that can I use PMEMD or PMEMD.cuda generated trajectory to calculate binding free energy using MMPBSA.py. -- Sangita Kachhap C/O Dr. Balvinder Singh BIC IMTECH _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber [1]

-- 
Sangita Kachhap
C/O Dr. Balvinder Singh
BIC
IMTECH
 
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Received on Mon Oct 14 2013 - 08:30:03 PDT
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