[gmx-users] Replica Exchange MD using Gromacs

[Monika Sharma]

Hi!!
Thanks for suggestion. But still the problem is that whatever literature
i have, I could just get the way that they just did replica exchange at
these or that intervals. But still couldn't get clear the protocol of
doing replica exchange using Gromacs. That's why i wished for some
pieces of advice from the experts who have successfully implemented REMD
using Gromacs.
Thanks a lot..
Regards,
Monika
On Fri, 2007-11-30 at 14:27 +0200, OZGE ENGIN wrote:
> Hi Monica,
> 
> I had not found a detailed tutorial about it; however, you can search for papers in which the simulations are performed via REMD.This will be helpful.
> 
> Ozge.
> 
> -----Original Message-----
> From: "Monika Sharma" <mon_sharma at research.iiit.ac.in>
> To: gmx-users at gromacs.org
> Date: Fri, 30 Nov 2007 17:04:07 +0530 (IST)
> Subject: [gmx-users] Replica Exchange MD using Gromacs
> 
> Dear All,
> 
> I am trying REMD for the first time using Gromacs. But I am not finding
> any much helpful material regarding the replica exchange using Gromacs.
> Can anyone who has done REMD please let me know about any good tutorial
> where I can understand the way this replica exchange work in gromacs and
> the right protocol to do so..
> 
> Thanks a lot in advance..
> 
> Regards,
> Monika
> CCNSB, IIIT,
> Hyderabad.
> 
> 
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