[gmx-users] MD error: ci ?
wangzhun at pumc.edu.cn
Fri Oct 7 04:53:24 CEST 2005
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:
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!
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