From: Boyang Wang (pkuwangboyang_at_yahoo.com.cn)
Date: Wed Jan 04 2006 - 15:57:44 CST
Hi. Can you check if your periodic box has enlarged?
If your box becomes bigger, the previous cell basis vectors are too small, and this may be one of the reasons your have too fast moving atoms.
bo baker <bo.bybaker_at_gmail.com> 写道：
I try to run the MD without any restrains on. But I got the following
ERROR: Atom 1804 velocity is 12661.2 -18890.9 10218.8 (limit is 5000)
ERROR: Atom 1812 velocity is -12579.2 19072.4 -10061.2 (limit is 5000)
ERROR: Atoms moving too fast; simulation has become unstable.
ERROR: Exiting prematurely.
The coordinates were from the prievious runs ( 20 ps of
equilibration). I have included the .conf and .log files as
Thank you for advices.
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