it isn't clear to me what you are doing or asking. can you try explaining in
more detail? you need to tell us how you determined the temperature spacing
of the replicas. Is the problem that there are no exchanges? or that it
stopped? and what do you mean by "stopped"?
On Sun, Jan 30, 2011 at 2:45 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
> Hello all,
>
> I am runing REMD, first I was equilibrating it for 1ns but it stoped after
> ~835ns.
> I am runing tow separate REMD for am amino acid (one as refrence) in my
> protein
> one is runing still.
> Since in equilinration there is no exchange of replica, So can I restart
> equlibration from where it has stoped?
>
>
> Can please anybody suggest me?
>
> With regard
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
>
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Received on Mon Jan 31 2011 - 06:00:06 PST
