About NAN error

From: cong chen (namd_chcwaaa_at_yahoo.com.cn)
Date: Fri Sep 18 2009 - 01:35:51 CDT

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Hi, dear NAMD users,
  I am simulating glucose aqueous solutions with NAMD. The following errors arise:
ERROR: Atom 1393 velocity is nan nan nan (limit is 6000)
ERROR: Atom 1394 velocity is nan nan nan (limit is 6000)
ERROR: Atom 1395 velocity is nan nan nan (limit is 6000)
ERROR: Atom 3373 velocity is nan nan nan (limit is 6000)
ERROR: Atom 3374 velocity is nan nan nan (limit is 6000)
ERROR: Atom 3375 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8095 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8096 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8097 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7570 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7571 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7572 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7480 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7481 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7482 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8626 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8627 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8628 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8698 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8699 velocity is nan nan nan (limit is 6000)
ERROR: Atom 8700 velocity is nan nan nan (limit is 6000)
ERROR: Atom 1174 velocity is nan nan nan (limit is 6000)
ERROR: Atom 1175 velocity is nan nan nan (limit is 6000)
ERROR: Atom 1176 velocity is nan nan nan (limit is 6000)
ERROR: Atom 3502 velocity is nan nan nan (limit is 6000)
ERROR: Atom 3503 velocity is nan nan nan (limit is 6000)
ERROR: Atom 3504 velocity is nan nan nan (limit is 6000)
ERROR: Atom 1921 velocity is nan nan nan (limit is 6000)
ERROR: Atom 1922 velocity is nan nan nan (limit is 6000)
ERROR: Atom 1923 velocity is nan nan nan (limit is 6000)
ERROR: Atom 142 velocity is nan nan nan (limit is 6000)
ERROR: Atom 143 velocity is nan nan nan (limit is 6000)
ERROR: Atom 144 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7555 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7556 velocity is nan nan nan (limit is 6000)
ERROR: Atom 7557 velocity is nan nan nan (limit is 6000)
 
A first 1000 step minimization has been made and it goes well except elect energy. The values of energies at 1000 step are listed as follow:

TS           BOND          ANGLE          DIHED          IMPRP               ELECT            VDW         
 1000      1341.5225       906.7272       327.3548         0.0000         -43585.4096      4919.3799
 
The elect energy seems too high, is this the reason?         
My conf and output files are attached and I would be grateful if anyone could give me some advice.
 
 
 
Best wishes!
 
Cong Chen

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• application/octet-stream attachment: glucose-water-10-npt.log

• text/plain attachment: glucose-water-10-npt.conf

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