AMBER: Strange minimization output problem

From: andy ng <>
Date: Sat, 4 Feb 2006 23:39:31 +1100

Dear User,

Does anyone know what cause this strange problem in the complex output
file of my minimization?

I am following the tutorial2 .
except I have my own WW domain and peptide.
I was able to run the minimization and dynamic on peptide and protein
but not the complex.

below is the output file

      1 NaN NaN 0.0000E+00 N 1

 BOND = 33.1578 ANGLE = 138.5896 DIHED = 540.6158
 VDWAALS = 4508907.4378 EEL = -3854.6022 EGB = NaN
 1-4 VDW = 244.7324 1-4 EEL = 1984.2068 RESTRAINT = 0.0000

It just stop there and no more result is coming out.
The prmtop and inpcrd did not complain anything when i created them in xleap.
Any idea what could be the problem?

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Feb 05 2006 - 06:10:05 PST
Custom Search