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GENESIS 2.1.5 released

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This version has the following updates. Fix inconsistencies in the conversion of uppercase and lowercase letters in psf files and par/toppar.

GENESIS 2.1.4 released

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This version has the following updates. Bugfix of reading psf file when reading an atomtype that begins with a non-alphabetic letter.

GENESIS 2.1.3 released

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This version has the following updates. Bugfix of random number generator for CG simulation in atdyn. Enable of Intel Compilers (ifx/icx) from 2024. (F...

GENESIS 2.1.2 released

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This version has the following updates. Some flags (!$omp simd, !$dir$) have been removed. Auto-test scripts in regression_test directory have been fix...

GENESIS 2.1.1 released

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This version has the following updates. Add energy_analysis for QM/MM calculation Enable prediodic CV in pmf_analysis

GENESIS 2.1.0 released

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This version has the following new feature. Free-energy perturbation method (FEP) with modified Hamiltonian

GENESIS 2.0.3 released

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This version has the following updates: (SPDYN) Fix solute list allocation in gREST (Bugfix)

GENESIS 2.0.2 released

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This version has the following updates: (SPDYN) Fix local restraints (Bugfix)

GENESIS 2.0.1 released

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This version has the following updates: Fix regression tests for Fugaku (SPDYN) Fix local restraints (Adding Error check, bugfix)

GENESIS 2.0.0 released

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This version merges functions in GENESIS 2.0 beta3 and GENESIS 1.7.1.

Hands-on Tutorial on Fugaku (May 11th, 2022)

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(This is a page for recruiting participants for GENESIS hands-on tutorials conducted in Japanese.) 2022/5/11(水)にオンラインにて富岳を使ったGENESISハンズオンチュートリアルを開催いたします。~~ア...

GENESIS 1.7.1 released

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This version has the following updates: (SPDYN) Introduce AMBER FF19SB (ATDYN) Introduce AMBER GBSA model

GENESIS 1.7.0 released

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This version has the following updates. (ATDYN) AICG2+ CG model for protein (ATDYN) Macro-mixing KB Go/DoME model

GENESIS 1.6.2 released

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This version has the following updates. Compiling and running GENESIS on Windows 10 under cygwin and MSMPI Deprecate energy_analysis (Please use analys...

GENESIS 1.6.1 released

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This version has the following updates. (ATDYN) QM/MM with AMBER force field (ATDYN) Interface with QSimulate-QM

GENESIS 1.6.0 released

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This version has the following updates. (ATDYN) QM/MM MD (ATDYN) Minimum Energy Path Search

GENESIS 2.0 beta available

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Ver. 2.0 beta is quite faster than ver. 1.X, and also optimized for the FUGAKU super-computer. Note that the available functions are currently limited to onl...

GENESIS 1.5.1 released

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This version has the following updates. (ATDYN) Fix L-BFGS minimization (SPDYN) Fix free-energy perturbation

GENESIS 1.5.0 released

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This version has the following new features. Free-energy perturbation method (FEP) On-the-fly energy analysis in gREST

GENESIS 1.4.0 released!

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This version has the following new features. Cryo-EM flexible fitting (REUSfit, MDfit) GB/SA implicit solvent model

GENESIS 1.3.0 released

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This version contains following bugfixes. (spdyn/atdyn) Enable generalized replica exchange with solute tempering (gREST) (spdyn) Improvement of nonbon...

GENESIS 1.2.1 released

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This version contains following bugfixes. (spdyn) Fix constraints on minimization (atdyn) Fix dispersion correction for AMBER FF

GENESIS 1.2.0 released!

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This version has the following new feature. (spdyn) TIP4P water model enabled (AMBER/CHARMM)

GENESIS 1.1.4 released

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This version is also an urgent bugfix release. Users of 1.1.2/1.1.3 must update to this version. Fixes:

GENESIS 1.1.3 released

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This version is an urgent bugfix version. Users of 1.1.2 must update to this version. Fixes:

GENESIS 1.1.2 released!

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This version contains a new feature and some fixes as follows. New feature:

GENESIS 1.1.1 released!

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This is a minor update release concerning the following issues. (code) fix problems while installing with CUDA-8.0RC and single precision

GENESIS 1.1.0 released!

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Source code, manual, and test set is available at this page (links been removed…)! New version is also installed in K computer.

GENESIS 1.0 paper

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GENESIS 1.0 published on WIREs Comput. Mol. Sci. is available online.

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