[gmx-users] MD error: ci ?

[Wang Zhun]

Hi, all,

I did a MD simulation of a peptide in water, but it failed at about 100 ps.
In the screen output there was a warning:
Fatal error:ci=-2147483648 should be in 0..449[FILE nsgrid.c LINE 218].
Whatis  that for?
The nsgrid.c LINE 218 is:
range_check(ci,ncells);
So, ci should be cell index. But why my ci value got wrong?
I also attached the mdout.mdp.

And i'd like to know the difference between version 3.2.1 and 3.3 rc3. 
I'm using 3.2.1 under Mandrake 8.1.
Thanks in advance for any help!

Wzh

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