H++ can now calculate the pKs for proteins embedded in a membrane.
See FAQ for details.
7/2015 - Most common ions can now be retained for pK calculations and will be included in the output topology/parameter and coordinate files. See FAQ for details.
7/2015 - H++ now uses the latest version of AmberTools and Amber force field parameters: AmberTools 15 using ff14SB force field parameters for proteins. with OL3 modifications for RNA, and OL1+OL4 modifications for DNA. See FAQ for details.
7/2015 - Water model option for solvent box. When generating an explicit solvent box, you can now select between two types of water models: OPC, a highly accurate 4-point water model, and TIP3P, the traditional 3-point water model. See [Izadi et. al., 2015, J Phys Chem Lett, 5(21), 3863-3871] for additional information on OPC.
5/2013 - The accuracy table for H++ has been updated to reflect a correction to experimental data used for comparison. The RMS error in calculated pK relative to experimental values is 1.0 pK units for a set of 23 protein structures with a total of 201 titratable groups. Refer to this link for more details.