[gmx-users] (no subject)
Hector Mrz-Seara Monne
hseara at netscape.net
Mon Nov 8 18:04:44 CET 2004
hello, the system I'm working on seems to have the problem of presenting
strong forces during the dynamics that finish in the explode of the
system. Just to clarify what Xavier (x.periole at chem.rug.nl) wrote, how
is possible to have a different behavior, even a slightly different
route, if you start for o point of the dynamics that goes thougth the
same path that does that has explode out your system. Do you regenerate
the velocities or something similar? or is more like playing with
intrinsic round errors of the computer?
Thanks in advance Hector.
x.periole at chem.rug.nl wrote:
> SLN Prasad Reddy wrote:
>> Hello gromacs users,
>> After running grompp command for geting pr.tpr file. I
>> did run mdrun ( Position Restraint) then gromacs showing following error
>> Fatal error: ci = -2147483648 should be in 0 .. 2743 [FILE nsgrid.c,
>> LINE 210]
>> I could not understand the above message. Kidly help me to
>> overcome this problem.Many thanks in advance
>> Thanking you
> As it has been mentioned many times in the email list, this message
> when your system explodes. The main reason for this is that there
> are strong forces appearing in your system.
> you can rerun the trajectory starting from some picoseconds before the
> and if your are lucky the trajectory will take a slightly different
> route and
> this will not happen.
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