[gmx-users] MD error: ci ?

Wang Zhun wangzhun at pumc.edu.cn
Fri Oct 7 04:53:24 CEST 2005

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:
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!


-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: mdout.mdp
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051007/c67ae5e8/attachment.ksh>

More information about the gromacs.org_gmx-users mailing list