[gmx-users] cell output

[David]

On Tue, 2005-06-07 at 13:07 -0400, Lianqing Zheng wrote:
> Thanks, David! How about these parameters versus time?
In that case you can output the box vectors using g_energy and apply a
bit of math your self. If you supply the C-code I'm willing to put it
into g_energy.

> 
> Lianqing
> 
> 
> On Tue, 7 Jun 2005, David wrote:
> 
> >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
> >++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> >
> >_______________________________________________
> >gmx-users mailing list
> >gmx-users at gromacs.org
> >http://www.gromacs.org/mailman/listinfo/gmx-users
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> >
> 
> _______________________________________________
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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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++