velocity error

From: bo baker (bo.bybaker_at_gmail.com)
Date: Wed Jan 04 2006 - 13:12:45 CST

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Hello, NAMD:

I try to run the MD without any restrains on. But I got the following
error messages:

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
attachments.

Thank you for advices.

Bo

• application/octet-stream attachment: N62-3.log

• application/octet-stream attachment: n62-NPT.conf

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