Hi all,I'm a fresher for amber. I am puzzling over the flag dihedrals in the .prmtop file.
for example,the dihedral 3 6 9 12 had two definitions,3 6 9 12 4 and 3 6 -9 12 5 in my .prmtop
file.Here 4 and 5 represents different dihedral types obviously.Which is appropriate? or was
the dihedral descriped by the sum of the two cosine functions above?
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Received on Wed Dec 29 2010 - 00:00:05 PST
