[gmx-users] help

Lucio Ricardo Montero Valenzuela lucioric at ibt.unam.mx
Tue Apr 27 19:38:39 CEST 2010


hello. I got the same error, because I was using an NPT ensemble to do a
position-restrained simulation, and the error disappeared when I did the
position-restrained simulation with NVT.
Best regards.
Lucio.
El mar, 27-04-2010 a las 16:52 +0530, vani ms escribió:
> hello 
> i got the warning as the Warning: "1-4 interaction between 246 and 251
> at distance 4.991 which is larger than the 1-4 table size 2.400 nm
> These are 
> 
> 
> ignored for the rest of the simulation
> This usually means your system is exploding,
> if not, you should increase table-extension in your mdp file
> or 
> 
> 
> with user tables increase the table size
> Segmentation fault"
> 
> 
> 
> 
> so tl me wt actually is table extension and table size in mdp file
> 
> 
> 
> 
>  
> 
> -- 
> WITH REGARDS
> VANI
> 
> 
> -- 
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