[gmx-users] Autocorrelation of dipole moment

[André Farias de Moura]

probably yes, but you need to test that assumption.

best

Andre

On Wed, Jun 22, 2011 at 8:25 PM, Chathurika Abeyrathne
<c.abeyrathne at student.unimelb.edu.au> wrote:
>
>
> Thank you.
> If I apply an electric field will I be able to get only positive values?
>
>
> Regards,
> Chathurika.
>
>
>
>
> 2011/6/22 André Farias de Moura <moura at ufscar.br>
>>
>> sure, the ACF for a vector gives you the average cosine between that
>> vector
>> at time t=0 and the same vector at a later time lag, thus negative values
>> may
>> be seen as an inversion of the direction to which the vector points
>> out (-1 would
>> be the value for a vector lying 180 degrees away from the direction at
>> t=0).
>>
>> best
>>
>> Andre
>>
>> On Tue, Jun 21, 2011 at 8:29 PM, Chathurika Abeyrathne
>> <c.abeyrathne at student.unimelb.edu.au> wrote:
>> >
>> >
>> > Hi,
>> >
>> > Is it possible to get negative values for normalized autocorrelation of
>> > total dipole moment.
>> >
>> > Thank you.
>> >
>> >
>> > Regards,
>> > Chathurika.
>> >
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