Much depends on the initial structures. If all the same, you realy
need a second run from different coordinates. If different, the data
from all replicas should match. This means that you can extract the
temperatur data from each replica and they should match. For example,
fraction folded at 300k must be the same for replica 1 and 2. This
takes some effort to analyze.
On May 18, 2010, at 2:20 AM, jani vinod <genomejani.gmail.com> wrote:
> Hello,
> I have carried out a test REMD (20 replicas) . I have came across
> many paper
> discussing the REMD convergence but all have used different
> parameter for testing the convergence.Some also mentioned that they
> were not
> able to achieve convergence and in some case it was achieved
> within few nanosecond.
> So actually how to test whether a REMD simulation has converged or
> not.
>
> regards
> vinod
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Received on Tue May 18 2010 - 04:00:03 PDT
