AMBER Archive (2005)

Subject: AMBER: EEL and EAMBER values

From: Andrew Box (box_twin3_at_hotmail.com)
Date: Wed Nov 02 2005 - 22:19:14 CST

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

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