From: Edward Patrick Obrien (edobrien_at_Glue.umd.edu)
Date: Wed Dec 08 2004 - 10:54:37 CST
Hi Suxing,
I can't answer your question about limits on periodic cell size, but one
thing I can suggest, if you haven't done so already, is follow the
standard practice of minimizing your system, heating it to the desired
temperature, and equilibrating/production run.
Try minimization first, and see if you get any errors there,
Ed
On Wed, 8 Dec 2004, Suxing Hu wrote:
> Hi all:
>
> I am using the NAMD to simulate ultracold plasmas, which basically consist of
> all charged particles. Such a system is quite extended, normally have a spatial
> size of 50umx50umx100um. I am testing for ~500 particles starting almost from
> zero velocity, but it shows at the first time step the particle velocities being
> huge (>10^15), and even nan (not a number).
>
> Are there any limits on the size of periodic cell in NAMD? PME is turned on in
> my simulation tests.
>
> Thanks,
>
> Suxing Hu
>
>
>
>
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:38:03 CST