[gmx-users] segmentation error

コウ チ caoch_57 at hotmail.com
Sat Jul 10 17:43:14 CEST 2004


hi
i am using GROMOS96 43a2 Forcefield to do some simulations.  When i usied 
'genbox' to solvate molecule with spc216.gro water a segmentation error 
occured. as a same caculation was sucessfullly done by using GROMOS96 43a1 
Forcefield i think perhaps there are some errors in my system. how can i 
resolve it? 
 the detailed error message is
 ...
 Calculating Overlap...
box_margin = 0.315
Removed 2901 atoms that were outside the box
 segmentation error
                                                 caoch
                                 tokyo institute technology

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