Aug 24, 2012
files for running MD simulations with protein-cofactor system
Force Field for PSII cofactors
This package contains the Force Field files that can be used in Gromacs 4.5.x for setting up a MD simulation of the PSII core complex. It can be also useful to simulate or develop FF parameters for other systems with related cofactors.
psii ff
Oct 29, 2011
PLEASE CITE THESE PAPERS
Zhang L, Silva D-A, Yan Y, Huang X. Force field development for cofactors in the photosystem II. J Comput Chem. Sep 30;33(25):1969-80, (2012) (2012) View
