From: Fangqiang Zhu (fzhu_at_ks.uiuc.edu)
Date: Thu Nov 27 2003 - 23:27:34 CST
Hi,
Column 1: time step;
Column 2-10: the three unit cell vectors, same meaning as
cellBasisVector[1-3];
Column 11-13: same meaning as cellOrigin;
The last 6 columns are something related to the strain rate of the
unit cell.
Zhu
Zoe Cournia wrote:
> Dear NAMD Users
>
> I would like to ask about a description of the contents of the XST
> (eXtended System Trajectory) file which contains a record of the
> periodic cell parameters and extended system variables during the
> simulation.
>
> What exactly is the format of this file and what are the 'extended
> system variables' that it contains?
>
> Best Regards,
> Zoe Cournia
>
> --
>
>
> -----------------------------------------------------------------
> | Zoe Cournia, Dipl.-Chem. Phone: |
> | University of Heidelberg +49 6221 548808 (office) |
> | IWR - Computational Biophysics +49 179 4840634 (mobile) |
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> | |
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