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

[Sanghyun Park]

Thank you David.

I believe virial is typically calculated in terms of pairwise 
interparticle coordinates and forces (r_{ij} and f_{ij}).  If that is 
the case in gromacs, how is external force incorporated into 
interparticle forces?

Sanghyun

How is the external force included in virial?

> 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.