[gmx-users] virial calculation in the presence of electric field

[David van der Spoel]

Sanghyun Park wrote:
> Hi,
> 
> When electric field is applied (using E_x, E_y, E_z in mdp), are the 
> forces due to the field included in the virial calculation?  I found 
> some previous messages that seem to indicate that they are included, but 
> would like to double-check.
> 
> Thank you,
> Sanghyun
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
yes they are, but they should cancel for a neutral system.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++