Dr.Case,
Could you explain me what 1-4VdW and 1-4EEL in the output files of sander?
What command do you use to calculate parts of VdW (also Electrostatic)
contributions (namely, protein-water only, water-water, etc.) ?
Sorry for this silly question 'cos I'm very new in this field.
Thanks in advance.
Harianto.
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Received on Wed Dec 22 2004 - 15:53:00 PST
