[gmx-users] Reg: Standard error

[vinothkumar mohanakrishnan]

Dear Mark

Thank you for your explaination but Its not clear to me what you are trying
to say. can you explain it bit more clearly. what should i need to do to get
the standard error? any help is highly appreciated.

Regards
Vinoth

On Wed, Dec 1, 2010 at 2:39 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> On 1/12/2010 7:59 PM, vinothkumar mohanakrishnan wrote:
>
>> Hi Gromacians
>>
>> I am planning to compute the standard error for the interfacial surface
>> tension of water-dichloro ethane. i just want to know is my procedure right.
>> below is the result what i get from my g_energy command.
>>
>> Statistics over 500001 steps [ 0.0000 thru 1000.0001 ps ], 1 data sets
>> All averages are exact over 500001 steps
>>
>> Energy                      Average       RMSD     Fluct.      Drift
>>  Tot-Drift
>>
>> -------------------------------------------------------------------------------
>> #Surf*SurfTen               692.904    4579.46    4579.16  -0.181601
>> -181.602
>>
>> my question is to calculate the standard error should i need to divide the
>> RMSD(4579.46) by the squareroot of 500001 steps? any help is highly
>> appreciated.
>>
>
> Calculating the standard error of the mean in this way requires that the
> observations are independent (
> http://en.wikipedia.org/wiki/Standard_error_%28statistics%29). Adjacent MD
> frames are not. You would need to know something about your correlation
> times to know how long you have to wait before effective independence.
>
> Mark
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101201/6560a4f9/attachment.html>