[gmx-users] Velocity Auto-Correlation Function

[Viswanadham Sridhara]

Hi Everyone,
I tried to calculate diffusion coefficient( from velocity auto correlation
function) as a function of electric field on a simple water system (216nm^3
volume), consisting of around 6500 water molecules.
The diffusion coefficient seems to increase with electric field, though the
increase is 10% for 1V/nm compared with no E-field case.
Am I doing anything wrong, or what is the predicted shape of Diffusion
coefficient Vs Electric field for SPC water model.
Thanks,
Vissu

--
Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060106/dec6698a/attachment.html>