Can anyone tell me What is the difference between "EAMBER" and "ENERGY" in
the output of sander (in AMBER8)? I remeber that sander7 does not have such
a term.
NSTEP ENERGY RMS GMAX NAME NUMBER
7100 -1.2912E+04 8.2018E-02 4.0329E+00 O 2031
BOND = 1618.9378 ANGLE = 1111.5776 DIHED =
2867.2550
VDWAALS = -2239.7242 EEL = -30252.7188 EGB = -
13244.0326
1-4 VDW = 1544.4230 1-4 EEL = 25230.5043 RESTRAINT =
451.6888
EAMBER = -13363.7779
Cheers,
Mingfeng Yang
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Received on Sun Feb 12 2006 - 06:10:08 PST
