[gmx-users] Dihedral not counted?

Justin A. Lemkul jalemkul at vt.edu
Mon Oct 27 16:44:55 CET 2008

Andrea Muntean wrote:
> 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.

Please send them as plain text to the list so everyone can see them without 
having to download the files (and so they can be archived for reference).


> 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


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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