[gmx-users] g_dipole

[Nilesh Dhumal]

How can I make prog. to read all frames.


On Thu, February 24, 2011 2:34 pm, Justin A. Lemkul wrote:
>

>
> Nilesh Dhumal wrote:
>
>> Hello,
>> I am calculating dipole autocorrelation function for my system.
>>
>>
>> I run the simulation for 500ps and the plot of dipole autocorrelation
>> function shows the results for 250 ps.
>>
>> I used the following command
>>
>>
>> g_dipoles -f water.trr -s water.tpr -c -corr total
>>
>> Can anyone tell whats the problem.
>>
>>
>
> This is the expected behavior.  See g_dipoles -h, especially the -acflen
> flag.
>
> -Justin
>
>
>> I am using  Gromacs VERSION 4.0.7 version.
>>
>>
>>
>> Thanks
>>
>>
>> NIlesh
>>
>>
>>
>>
>>
>>
>
> --
> ========================================
>
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
>
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