diff --git a/README.md b/README.md index 7521bcfe8..c3bfa1fb6 100644 --- a/README.md +++ b/README.md @@ -8,7 +8,7 @@ The Tinker software contains a variety of interesting algorithms such as: flexib

Current Release

-Tinker 8 is a major new release of the Ponder Lab tool set for molecular mechanics and dynamics calculations. An important change in this new version is the switch from old-style common blocks to Fortran modules. Use of modules and greatly increased use of dynamic memory allocation means Tinker can now support very large molecular systems. Tinker 8 also implements improved OpenMP parallelization throughout many parts of the code. Additional big improvements include parallel neighbor list building and updating, and big reduction in iteration needed to converge AMOEBA polarization via an efficient PCG solver. Other changes from the previous Tinker version include new and updated force field parameter sets and numerous minor additions and bug fixes, many of them suggested by users of the package. Please note that as with prior new releases, version 8 is neither backward nor forward compatible with earlier versions of Tinker. In particular, older versions of parameter files should not be used with Tinker 8 executables and vice versa. +Tinker 8 is a major release of the Ponder Lab tool set for molecular mechanics and dynamics calculations. An important change in this new version is the switch from old-style common blocks to Fortran modules. Use of modules and greatly increased use of dynamic memory allocation means Tinker can now support very large molecular systems. Tinker 8 also implements improved OpenMP parallelization throughout many parts of the code. Additional big improvements include parallel neighbor list building and updating, and big reduction in iteration needed to converge AMOEBA polarization via an efficient PCG solver. Other changes from the previous Tinker version include new and updated force field parameter sets and numerous minor additions and bug fixes, many of them suggested by users of the package. Please note that as with prior new releases, version 8 is neither backward nor forward compatible with earlier versions of Tinker. In particular, older versions of parameter files should not be used with Tinker 8 executables and vice versa. While we strongly suggest users switch to Tinker 8 with its many important new features and bug fixes, we provide download links at https://dasher.wustl.edu/tinker/ for prior stable versions, Tinker 7.1.3, Tinker 6.3.3, Tinker 5.1.9 and Tinker 4.3. Tinker 6 and later is OpenMP parallel and written in Fortran 95, while Tinker 4 and 5 are in serial, extended Fortran 77.