Hremd is a very general method in which you modify part of the energy
function. How you do this depends on which part of the function you will
modify. You need to explain your plan in more detail. If you're not
familiar with what part you want to modify, I suggest looking at articles
that successfully applied Hremd to a problem similar to yours.
On Nov 5, 2014 11:20 AM, "Mele N." <nm10g13.soton.ac.uk> wrote:
> Dear Amber user,
>
> I am currently using Temperature REMD simulation and I would like to use
> H-REMD to improve my knowledge.
>
> However, I can't understand how to perform H-REMD in AMBER. With T-REMD we
> specify as an input file a set of temperatures (generated by gromacs
> generator in my case) so I would like to understand how do we choose the
> number of replicas?
> I tried to find paper or tutorial on it but I couldn't managed, if you
> have any advices it would be appreciated.
>
> Many thanks in advance,
>
> Regards,
>
> Nawel
>
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Received on Wed Nov 05 2014 - 09:00:03 PST
