[gmx-users] cell output
David
spoel at xray.bmc.uu.se
Tue Jun 7 18:53:55 CEST 2005
On Tue, 2005-06-07 at 10:27 -0400, Lianqing Zheng wrote:
> Dear gmx-pals,
>
> Is there any way to output cell vectors like [a, b, c, alpha, beta gamma],
> rather than [xx, yx, yy,zx, zy, zz]?
Yes, if you store a file as a pdb file.
>
> Thanks!
>
> Lianqing
>
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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