[gmx-users] graphite

[Yonggang Gao]

Hello gmxs,
 
In my model, I use graphite as substrate. But when I put the graphite
 into the SPC216 water, the simulation is error and is aborted.  
 
Could someone help me to deal with this problem? 
Thanks a lot!
 
The error is:
Warning: 1-4 interaction at distance larger than 1
These are ignored for the rest of the simulation
turn on -debug for more information
step 2220, will finish at Wed Jul 30 15:50:49 2003Wrote pdb files with
previous and current coordinates
Fatal error: ci = -2147483648 should be in 0 .. 1535 [FILE nsgrid.c,
LINE 210]
 
 
 
Best regards!
Yonggang
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Gao Yonggang
Max Planck Institute for Metals Research
Heisenberg St 3, D-70569 Stuttgart, Germany.
email: yonggang.gao at mf.mpg.de <mailto:xshi at mf.mpg.de> 
Homepage http://shasta.mpi-stuttgart.mpg.de
<http://shasta.mpi-stuttgart.mpg.de/> 
Phone ++49-711-689-3571
Fax ++49-711-689-3512
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