[gmx-users] about mdrun errors!!

[David van der Spoel]

On Tue, 2003-02-18 at 04:00, nanyu101 wrote:
> Dear gmx-user,
>    My system is dppc+ion channel.I try to use the result of EM to run MD.But the system told me as follows:
> 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]
> 
>   Would you please give me some suggestions about it?
It is caused by large forces in due to atoms being too close in the
starting conformation.

-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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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