Release Name: TinkerV6_OpenMM4.0
This release will only work with a version of TINKER 6.*: the parameter p41scale is not present in TINKER v5.1.09. The Grycuk algorithm is now used to calculate the Born radii. The box dimensions are updated in in TINKER and the dyn file. Pressure coupling via the OpenMM Monte Carlo barostat is implemented. Important note: A incorrect initialization of a variable in TINKER 6.0.04 leads to the use of non-periodic boundary conditions for the vdw forces for calculations employing PME. The fix is to edit unitcell.f and change 'nosymm = .true.' to 'nosymm = .false.' at line 52.