Hexameric proxies for studying softwood hemicellulose using CHARMM forcefield

CHARMM Topology files of hexameric xylose oligomers decorated with different patterns of 4-O-methyl-glucuronic acid and L-arabinose substitutions as proxy molecules for softwood xylan.

Configuration files for the individual molecules as well as slab geometries representing the major cellulose surfaces ((100), (110), (1-10)) are also included.

All files in GROMACS format.