[gmx-users] Warning: Only triclinic boxes with the first vector parallel to the x-axis and the second vector in the xy-plane are supported.

[David]

On Tue, 2003-11-11 at 19:50, Mauricio Arenas Salinas wrote:
> hi all:
> 
> I try to MD a DPPC, but i have a warning: 
> Warning: Only triclinic boxes with the first vector 
> parallel to the x-axis and the second vector in the 
> xy-plane are supported.
> Box (3x3)
> Box[    0]={         nan,          nan,          nan}
> Box[    1]={         nan,          nan,          nan}
> Box[    2]={         nan,          nan,          nan}
> Can not fix pbc.
> Fatal error: ci = -1 should be in 0 .. -1 [FILE nsgrid.c, 
> LINE 210]
> 
> that I can make to solve this problem.
> thank you very much, from Chili
> 
> 
check your starting structure

> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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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