[gmx-users] cell output

[Lianqing Zheng]

Thanks, David! How about these parameters versus time?

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
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