[gmx-users] g_dipole

[Justin A. Lemkul]

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

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