Hello,
I have the following problem:
I did an simulation of a short b-dna molecule (7 basepairs). After
simulating I calculated the total energy and bonding energies (VdW,
elec etc) with namdenergy. The energies don't match with the energies
calculated by amber and listed in the out-files. The discrepancy is
about 10%.
Does somebody has an explanation?
take care,
jakob
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Received on Wed Feb 02 2011 - 09:30:07 PST
