From: Eric Perim (eric.perim_at_gmail.com)
Date: Thu Dec 01 2005 - 13:36:36 CST
Hello,
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,
Eric.
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