GENESIS 2.0.3 released

This version has the following updates:

  • (SPDYN) Fix solute list allocation in gREST (Bugfix)

GENESIS 2.0.1 released

This version has the following updates:

  • Fix regression tests for Fugaku
  • (SPDYN) Fix local restraints (Adding Error check, bugfix)
  • (SPDYN) Fix structure check

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

(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。アナウンスや申込み方法については一般社団法人 ライフインテリジェンスコンソーシアムのイベントページをご参照下さい。

定員に達したため受付は終了しました。ありがとうございました。

GENESIS 1.7.1 released

This version has the following updates:

  • (SPDYN) Introduce AMBER FF19SB
  • (ATDYN) Introduce AMBER GBSA model

GENESIS 1.7.0 released

This version has the following updates.

  • (ATDYN) AICG2+ CG model for protein
  • (ATDYN) Macro-mixing KB Go/DoME model
  • (ATDYN) 3SPN.2C CG model for DNA
  • (ATDYN) Structure-based CG model for RNA
  • (ATDYN) HPS/KH CG model for IDR and RNA
  • (ATDYN) PWMcos CG model for protein-DNA sequence-specific interaction
  • (ATDYN) Morphing calculation
  • (Analysis) CG topology/parameter/coordinate generation: GENESIS-CG-tool
  • (Analysis) Q-value analysis for CG models
  • (Analysis) Extracting averages of selected atoms

GENESIS 1.6.2 released

This version has the following updates.

  • Compiling and running GENESIS on Windows 10 under cygwin and MSMPI
  • Deprecate energy_analysis (Please use analysis_grest in [REMD] on spdyn)

GENESIS 1.6.1 released

This version has the following updates.

  • (ATDYN) QM/MM with AMBER force field
  • (ATDYN) Interface with QSimulate-QM