From: yxiong_at_mail.ccnu.edu.cn
Date: Fri Nov 28 2003 - 03:33:03 CST
Dear Sir,
I want to do a MD with NAMD. However I get the following information which may
indicate the Atom 26 velocity is not normal.
Could you please tell me how to solve this problem?Thank you!
----------------------------------------------------------------------------
nfo: NONZERO IMPRECISION IN COULOMB TABLE: 5.29396e-23 (766) 6.61744e-23 (766)
Info: Entering startup phase 8 with 5957 kB of memory in use.
Info: Finished startup with 9656 kB of memory in use.
REASSIGNING VELOCITIES AT STEP 0 TO 25 KELVIN.
ERROR: Atom 24 velocity is -54923.7 -54714.6 -9277.06 (limit is 10000)
ERROR: Atoms moving too fast; simulation has become unstable.
ERROR: Atom 26 velocity is 8090.26 -71576.1 30976.9 (limit is 10000)
ERROR: Atoms moving too fast; simulation has become unstable.
ETITLE: TS BOND ANGLE DIHED IMPRP
ELECT
VDW BOUNDARY MISC KINETIC TOTAL
TEMP
TOTAL2 TOTAL3 TEMPAVG
ENERGY: 0 42044.0895 8823.8069 1503.7709 401.9668
-7085.6724
146817.9889 0.0000 0.0000 381.7396 192887.6902
25.1111
5748729.0460 5748729.0460 25.1111
ERROR: Exiting prematurely.
==========================================
WallClock: 4.165969 CPUTime: 4.160000 Memory: 16867 kB
Program finished.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:37:10 CST