Date: Thu, 12 Jun 2025 13:13:31 -0230
Hi all,
I am currently editing a .frcmod file for a custom molecule. This
nucleotide has the dihedral c3-n3-p5-o, for which there are two entries in
gaff2.dat. I thought that the fourth column, that says -2 for the first
dihedral and 3 for the second, might help in knowing which values to use,
but I am unable to figure out what these numbers represent. I was wondering
if anyone knows why there are two entries for this dihedral and which
should be used when? I've attached a screenshot of the two dihedrals in
gaff2.dat for reference.
Thanks,
Katie
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