Hi all,
Is it possible to specify Pxy, Pxz, Pyz for relaxation of an orthogonal box ?
Thanks,
Alankar
Hi all,
Is it possible to specify Pxy, Pxz, Pyz for relaxation of an orthogonal box ?
Thanks,
Alankar
For dynamics via the fix npt command, yes you
can specify those external pressures. For minimization
via the fix box/relax command, again you can specify
them.
Steve