[gmx-users] Basic Query

[David van der Spoel]

priyanka srivastava wrote:
> Dear Prof. Spoel,
> 
> Many thanks for your reply.
> 
> Since the fourier_n* values are associated with the grid sizing, will 
> these values affect my results drastically? do you suggest resubmitting 
> these runs?
> 
> regards,
> Pri...
> 
check your md.log file to see what was used. you need roughly 0.1-0.2 nm 
  gridspacing depending on the cutoff.

-- 
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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