[gmx-users] Number of grid cells is zero

[David van der Spoel]

best alep wrote:
> Hi Dr. Dallas,
>  
> Thanks for replying my mail, I've already seen the trajectory file. 
> There's no structure.. I saw only dots.. these dots were not connected 
> with each other. But the colors shows the difference of the atoms 
> (probably). What is happening? Can you or anyone help me please? I'm new 
> to this (molecular simulation)..so my basic is not strong. Is it 
> concerning my simulation box? or my mdp file?..By the way, I'm trying to 
> run simulation on Oleyl oleate C36 O2 structure.
>  
> Clues, or comments or advices please...
>  
your starting structure is bad. fix it with minimization etc.

-- 
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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