From: LEWYN LI (ll2150_at_columbia.edu)
Date: Thu Dec 01 2005 - 14:57:42 CST
The error message "Atoms moving too fast" often indicates that the
system has not been properly equilibrated. Perhaps you could equilibrate
the system for a longer period and try again.
On Thu, 1 Dec 2005, Eric Perim wrote:
> I'm carrying some simulations with a solvated protein in a periodic
> water box. I just finished equilibrating it, by doing constant
> temperature and pressure simulations, but when I was to start lowering
> it's temperature by further simulations, I got an error message on the
> log file, and it was aborted. The message is as follows:
> "OPENING EXTENDED SYSTEM TRAJECTORY FILE
> ERROR: Atom 503 velocity is -inf inf inf (limit is 10000)
> ERROR: Atom 504 velocity is -inf inf inf (limit is 10000)
> ERROR: Atom 1 velocity is inf inf inf (limit is 10000)
> ERROR: Atom 505 velocity is inf inf inf (limit is 10000)
> ERROR: Atom 14632 velocity is -inf inf -inf (limit is 10000)
> ERROR: Atoms moving too fast; simulation has become unstable.
> ERROR: Exiting prematurely."
> I can't understand the reason of this error, and don't know how to solve it.
> Thanks in advance,
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