[gmx-users] g_order

David van der Spoel spoel at xray.bmc.uu.se
Wed Aug 23 11:33:27 CEST 2006


priyanka srivastava wrote:
> Hie All,
> 
> While using the tool g_order I am getting NAN (not a
> number), as is pasted below:
> 
> Atom 4 Tensor: x=-0.229462 , y=-0.180263, z=0.409725
> Atom 5 Tensor: x=nan , y=nan, z=nan
> Atom 6 Tensor: x=nan , y=nan, z=nan
> Atom 7 Tensor: x=-0.219508 , y=-0.176833, z=0.396342
> 
> Has anybody ever encountered this problem?
> kindly suggest me something,
> Priyanka.

please post a bugzilla with files to reproduce this problem (as simple 
as possible!).

> 
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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://folding.bmc.uu.se
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