[gmx-users] why gmx can not minimize the sio2?

zzhwise1 zzhwise1 at 163.com
Thu Mar 15 08:18:55 CET 2007

hi all!    recently,i configuratued a sio2 base!but when i minimized it in gmx,it was wrong! and show the follow messeage! -------------------------------------------------------                          
Program mdrun, VERSION 3.3.1                                                     
Source code file: nsgrid.c, line: 226                                            
Range checking error:                                                            
Explanation: During neighborsearching, we assign each particle to a grid         
based on its coordinates. If your system contains collisions or parameter        
errors that give particles very high velocities you might end up with some       
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot         
put these on a grid, so this is usually where we detect those errors.            
Make sure your system is properly energy-minimized and that the potential        
energy seems reasonable before trying again.                                     
Variable ci has value -2147483648. It should have been within [ 0 .. 288 ]       
Please report this to the mailing list (gmx-users at gromacs.org)                   
and i do not know why! for all the coordinates are right ,and i determined the O!can anyone help me?  
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