[gmx-users] Topology file and parameters for ladderanes

Dr. Vitaly Chaban vvchaban at gmail.com
Thu Jan 10 13:39:11 CET 2013

Dear All -

Just in case, does anyone simulate ladderanes
(http://en.wikipedia.org/wiki/Ladderane) in GROMACS?

We would appreciate suggestions as for
(1) selecting the non-bonded force field parameters;
(2) finding/deriving dihedrals and force constants between condensed
cyclobutane rings;
(3) sample topology files for this kind of structures.

Thank you!!

Dr. Vitaly V. Chaban
MEMPHYS - Center for Biomembrane Physics
Department of Physics, Chemistry and Pharmacy
University of Southern Denmark
Campusvej 55, 5230 Odense M, Denmark

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