Re: Problem about cellBasisVector

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Fri Feb 16 2007 - 12:56:57 CST

The cellBasisVectors are stored on xsc files. If you want to restart the
simulation, you should read them from there.
Regards
Cesar

Jianhui Tian escribió:
> Hi Namders,
>
> I am running a system with NPT. In the .namd file, I put the initial
> system cell size information into "cellBasisVectors" and also turned
> on the "LangevinPiston" to enable the pressure coupling. How would the
> cellBasisVector change if you use the pressure coupling? Do you have
> to set new cellBasisVector if you want to extend your simulation after
> 5ns running? Thank you very much.
>
> Jianhui

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:46:02 CST