ATB and Repository Release Notes (DRAFT) ================================== Version 2.0 (03-03-2014) - ATB algorithm - optimized charge group assignment: Canzar S, El-Kebir M, Pool R, Elbassioni K, Malde AK, Mark AE, Geerke DP, Stougie L, Klau GW. Charge Group Partitioning in Biomolecular Simulation. Journal of Computational Biology, 2013, 20, 188-198. - bug fix in charge group transfer from all to united atom topologies - fixed oxygen vdw atom type assignment for charged species - Repository - Structure viewer has been updated to allow for structure type selection e.g. original or optimized geometry.