| Run on Fri May 21 23:18:19 EDT 2010

|Input file:
|--------------------------------------------------------------
|Input file for running entropy calculations using NMode
|&general
|   endframe=50, keep_files=2,
|/
|&nmode
|   nmstartframe=5, nmendframe=45,
|   nminterval=5, nmode_igb=1, nmode_istrng=0.1,
|/
|
|--------------------------------------------------------------
|Complex topology file:           complex.prmtop
|Receptor topology file:          receptor.prmtop
|Ligand topology file:            ligand.prmtop
|Initial mdcrd(s):                1err_prod.mdcrd
|
|Best guess for receptor mask:   ":1-240"
|Best guess for  ligand  mask:   ":241"
|Ligand residue name is "RAL"
|
|Calculations performed using 50 frames.
|NMODE calculations performed using 9 frames.
|
|All units are reported in kcal/mole.
|All entropy results have units kcal/mole (Temperature is 298.15 K).
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ENTROPY RESULTS (HARMONIC APPROXIMATION) CALCULATED WITH NMODE:

Complex:
Entropy Term          Average        Std. Dev.
-----------------------------------------------------------
Translational:        16.8344           0.0000
Rotational:           17.2980           0.0048
Vibrational:        2822.1922           5.5652
Total:              2856.3244           5.5676


Receptor:
Entropy Term          Average        Std. Dev.
-----------------------------------------------------------
Translational:        16.8189           0.0000
Rotational:           17.2920           0.0043
Vibrational:        2792.3789           5.0057
Total:              2826.4900           5.0051


Ligand:
Entropy Term          Average        Std. Dev.
-----------------------------------------------------------
Translational:        13.2152           0.0000
Rotational:           11.4030           0.0504
Vibrational:          33.5785           0.0468
Total:                58.1966           0.0038


DELTA S total=       -28.3622 +/-       6.6294
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