[gmx-users] Regarding H-bond autocorrelation

[bipin singh]

I am using the Gromacs 4.5.3........is  that feature is present in
this version......

On Mon, Jun 13, 2011 at 21:39, Erik Marklund <erikm at xray.bmc.uu.se> wrote:
> Hi,
>
> The problem is that g_hbond subtracts a "background level" to compensate for the finite size of the system. I thought that feature had been taken away, however. Are you using old code?
>
> Erik
>
> 12 jun 2011 kl. 19.33 skrev bipin singh:
>
>> Hello,
>>
>> I am calculating the H-bond autocorrelation using g_hbond for my
>> system, but after plotting
>> I have observed that the value for c(t) is reaching to negative, as
>> far as I know it can not be
>> negative as the probability can not be negative.......please suggest
>> where is the problem......
>>
>> --
>> -----------------------
>> Thanks and Regards,
>> Bipin Singh
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>
> -----------------------------------------------
> Erik Marklund, PhD student
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,    75124 Uppsala, Sweden
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> erikm at xray.bmc.uu.se
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-- 
-----------------------
Regards,
Bipin Singh