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.
_______________________________________________
gmx-users mailing list [email protected]
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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
