[gmx-users] ParmBSC0 Force Field Contribution

[Thomas Piggot]

Hi everyone,

Just so people know, I have added to the user contributions section of 
the website to include the AMBER ParmBSC0 nucleic acid parameters in 
GROMACS 4.5.x format (see http://mmb.pcb.ub.es/PARMBSC0/ for further 
details regarding these nucleic acid parameters). The modified dihedral 
parameter conversion was validated through a comparison of single point 
energies in GROMACS and AMBER (see the paper below for further details).

If you use these files we also ask that, in addition to the original 
force field publications, you also cite:

Single-Stranded DNA within Nanopores: Conformational Dynamics and 
Implications for Sequencing; a Molecular Dynamics Simulation Study 
Andrew T. Guy, Thomas J. Piggot, and Syma Khalid
Biophysical Journal Volume 103, Issue 5, 5 September 2012, Pages 1028–1036
http://dx.doi.org/10.1016/j.bpj.2012.08.012

Cheers

Tom

-- 
Dr Thomas Piggot
University of Southampton, UK.