On Mon, May 6, 2013 at 3:48 AM, Kong xq wrote:
> Hi Mark,
>
>
> Thanks for your great help. I am sorry for the negligence to state the
> variation value correctly( it should be 0.011 rather than 0.11). Does this
> somewhat small value indicate the generalized equilibrium achieved?
It might be
Hi Mark,
Thanks for your great help. I am sorry for the negligence to state the
variation value correctly( it should be 0.011 rather than 0.11). Does this
somewhat small value indicate the generalized equilibrium achieved? I will
search the papers you suggested. I am wondering whether the histog
On Sun, May 5, 2013 at 5:14 PM, Kong xq wrote:
> Dear GMX users,
>
> I have some concerns about the statistics analysis of REMD which do
> need your generous help.
>
> I performed a 50ns isothermal-isobaric REMD simulation with 64 replicas
> spaning from 300K to 390K. Then I want to do so
Dear GMX users,
I have some concerns about the statistics analysis of REMD which do
need your generous help.
I performed a 50ns isothermal-isobaric REMD simulation with 64 replicas
spaning from 300K to 390K. Then I want to do some statistics analysis for
the results. First, I calculated t
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