[gmx-users] Problem using mdrun

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jun 7 16:15:53 CEST 2007

C.RAMYA wrote:
> Hello,
>     This is continuation to my previous mail. I am trying to simulate a
> molecule using mdrun but i am getting errors.
> After 2 steps i got
>   " Warning: 1-4 interaction between 245 and 251 at distance 1.922 which
> is larger than the 1-4 table size 1.000 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. "
> and then finally the program is quitting giving the message.
>    "Number of grid cells is zero. Probably the system and box collapsed"
> i am unable to sort out the real problem of this.I have tried increasing
> the grid size and also table-extension,but still i am getting the same
> message.
> Can someone suggest me where i am going wrong and what is to be done???Is
> this problem because of the compiler???

Not very likely. See 


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