[gmx-users] How to control the temperature when using an electric field?

[lammps lammps]

Hi,

I want to use the option of E_x = 1   0.01  0 to add an electric field to
the simulated system in NVT ensemble.

Because there should exist an no zero velocity of center-of-mass in the x
direction. It seems that it is wrong to directly use the nose-hoover to
control the temperature.

it is also not reasonable to use nstcomm   = 1, because the velocity of
center-of mass in the x-axis should be kept when runing.

So, How to control the temperature? When calcating the temperature in the
process of simulations, how to exclude the velocity of center-of-mass of x
direction for controling the right T?

Thanks in advance.

-- 
wade
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110422/610b8dfd/attachment.html>