[gmx-users] Dihedral not counted?

Andrea Muntean andreamuntean at gmail.com
Mon Oct 27 16:43:27 CET 2008


Hi Justin,

here are the relevant parts, as pdf files. I miss a dihedral between the
atoms 2, 9, 10 and 17, which corresponds to the
-CH   CH2   CH   +CH2 dihedral in the PS residue in the RTP entry.

For the trimer I should have 26 dihedrals, but in the TOP file I get only 25
(I mean only the proper dihedrals, the impropers are OK).

Thanks for your help.

Andrea
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