[gmx-users] More solvent errors!!!

[David]

On Mon, 2003-12-01 at 16:19, Raj Badhan wrote:
> Dear Users,
> In reply to my previous questions and answers from others with 
> regards to a strange error appearing when solvating my protein, I 
> have carried out the tutorial by Dr Kerrigan on the drug-enzyme 
> complex, and get the same error that I get when running my ATP-
> protein solvations using genbox:
> 
> Will generate new solvent configuration of 19x18x16 boxes
> Generating configuration
> Sorting configuration
> Found 1 molecule type:
>     SOL (   3 atoms): 1181952 residues

it's not a strange error. If the system size estimated by genbox
(roughly 40x40x32 nm) is correct, you're out of memory. Buy more memory
or use another computer.


-- 
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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