AMBER: EEL and EAMBER values

From: Andrew Box <box_twin3.hotmail.com>
Date: Thu, 03 Nov 2005 04:19:14 +0000

Dear Amber Users.

Could someone please tell me what EEL and EAMBER stand for in the following
output, and can you tell me the implications of their not being a value
under EEL and EAMBER.

Thanks in advance.

   NSTEP ENERGY RMS GMAX NAME NUMBER
   8021 -7.9708E+12 4.4444E+16 4.1793E+18 H2 5666

BOND = 112235.6338 ANGLE = 433.8649 DIHED = 354.3798
VDWAALS = 9487.9446 EEL = ************* HBOND = 0.0000
1-4 VDW = 182.8665 1-4 EEL = -264.4523 RESTRAINT = 6149.1888
EAMBER = *************
NMR restraints: Bond = 6149.189 Angle = 0.000 Torsion = 0.000


Andrew Box
La Trobe University
Australia

_________________________________________________________________
MyCareer.com.au: Visit the NEW Salary Survey
http://www.mycareer.com.au/salary-survey/?s_cid=203697

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Nov 03 2005 - 04:53:01 PST
Custom Search