gmx_MMPBSA v1.5.2 (03/23/2022)

Additions

gmx_MMPBSA

• ALPB (Analytical Linearized Poisson-Boltzmann) approximation (#170)
• PC+ correction in 3D-RISM (#187)
• Warning when using -deo option without &decomp namelist in the input file (#191)

gmx_MMPBSA_ana

• Tooltips for different options (#151)

Fix

gmx_MMPBSA_ana

• Chart options (#185)

Changes

gmx_MMPBSA

• 3D-RISM calculated with sander instead of rism3d.snglpnt (#153)

Documentation

• Update 3D-RISM doc (#190)