[gmx-users] g_dipole

[Justin A. Lemkul]

Nilesh Dhumal wrote:
> How can I make prog. to read all frames.
> 
> 

I already answered this.  Use a proper setting for -acflen.

-Justin

> 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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> 
> 
> 

-- 
========================================

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

========================================