[gmx-users] Dipole moment

[Javier Cerezo]

Hi

The dipole is stored in the edr file, which output frequency is 
controlled by "nstenergy" option in the mdp parameter file. Set it 
appropriately during your run (nstenergy=0.003) but keep in mind that it 
should be a multiple of the time step.

Javier


El 18/10/12 18:09, Nilesh Dhumal escribió:
> Hello,
>
> I am calculating the dipole moment auto-correlation function for my system
> which have 128 cation and 128 anion.
>
> I am saving the trajectory at each 2 ps and using this trajectory for
> further analysis.
>
> Can I save the dipole moment and three vectors at each 3 fs?
>
>
>
> Thanks
>
> Nilesh
>
>
>
>

-- 
Javier CEREZO BASTIDA
Ph.D. Student
Physical Chemistry
Universidad de Murcia
30100, Murcia (SPAIN)
T: (0034)868887434