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).
-Justin
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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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