All Categories

History

  1. Metoree
  2. Analysis Software
  3. Multivariate Analysis Software
  4. Molecular Dynamics Earth's fastest open source molecular dynamics calculation program Gromacs (HPC Systems Co., Ltd.)
Molecular Dynamics Earth's fastest open source molecular dynamics calculation program Gromacs-Gromacs
Molecular Dynamics Earth's fastest open source molecular dynamics calculation program Gromacs-HPC Systems Co., Ltd.

Molecular Dynamics Earth's fastest open source molecular dynamics calculation program Gromacs
HPC Systems Co., Ltd.

About This Product

■Product overview

GROMACS is a molecular dynamics (MD) calculation program developed at the University of Groningen in the Netherlands and currently being developed by the GROMACS development team at the Royal Institute of Technology in Sweden and Uppsala University. We aim to be the fastest MD calculation program on the planet, and can perform high-speed processing using efficient parallel calculations using MPI, threads, and GPUs. It is free software and can be modified freely under the GNU GPL license. Although it is targeted at biopolymers, application cases are increasing in the life sciences, medical care, and drug discovery fields in Japan as well.

■Simulation

・Simulation (molecular dynamics, Langevin dynamics) ・Energy minimization (conjugate gradient method, steepest descent method) ・Reference vibration analysis ・Correlation function

■Ensemble

・Weak Coupling method (temperature/pressure control) ・Nose-Hoover method (temperature control) ・Parrinello-Rahman method (pressure control) ・Martyna-Tobias-Tuckerman-Klein method (temperature/pressure control)

■Handling long-distance interactions

・Cutoff approximation (Group based, twin-range, switching function, shift function) ・PME (particle mesh Ewald) ・PPPM (particle-particle particle mesh Ewald) ・Reaction Field ・User-defined table function

■Free energy calculation

・Thermodynamic integration method ・Free energy perturbation method ・Test particle insertion method ・Replica exchange method ・Changes in GROMACS 5.0

  • Product

    Molecular Dynamics Earth's fastest open source molecular dynamics calculation program Gromacs

Share this product


50+ people viewing

Last viewed: 1 minute ago

Free
Get started with our free quotation service - no cost, no obligation.

No Phone Required
We respect your privacy. You can receive quotes without sharing your phone number.

1 Models of Molecular Dynamics Earth's fastest open source molecular dynamics calculation program Gromacs

Image Part Number Price (excluding tax)
Molecular Dynamics Earth's fastest open source molecular dynamics calculation program Gromacs-Part Number-Gromacs

Gromacs

Available upon quote

Customers who viewed this product also viewed

Reviews shown here are reviews of companies.

Compatible with a wide range of fields and achieves a 5x or 10x increase in productivity. Next-generation development support tool with automatic generation function Super System Generator (SSG)-Softthink Co., Ltd.

Compatible with a wide range of fields and achieves a 5x or 10x increase in productivity. Next-generation development support tool with automatic generation function Super System Generator (SSG)

Softthink Co., Ltd.

80+ people viewing

Last viewed: 20 minutes ago

Multivariate Analysis Software
AI prediction/causal search/predictive maintenance tool NTech Predict-Neutral Co., Ltd.

AI prediction/causal search/predictive maintenance tool NTech Predict

Neutral Co., Ltd.

$2,080.00

210+ people viewing

Last viewed: 3 hours ago

Multivariate Analysis Software

3 models listed

Quantification (UQ) Software Tool SmartUQ-Measurement Engineering System Co., Ltd.

Quantification (UQ) Software Tool SmartUQ

Measurement Engineering System Co., Ltd.

100+ people viewing

Last viewed: 11 hours ago

Multivariate Analysis Software
multi multivariate-I-STAT Co., Ltd.

multi multivariate

I-STAT Co., Ltd.

210+ people viewing

Last viewed: 12 hours ago

Multivariate Analysis Software

3 models listed

Interface for drug discovery support software myPresto MF myPresto v3.5-Fearax Co., Ltd.

Interface for drug discovery support software myPresto MF myPresto v3.5

Fearax Co., Ltd.

130+ people viewing

Last viewed: 23 hours ago

Multivariate Analysis Software

3 models listed

Structural analysis program SPHinx-SOLID-SPH Institute Co., Ltd.

Structural analysis program SPHinx-SOLID

SPH Institute Co., Ltd.

90+ people viewing

Last viewed: 37 minutes ago

Response time: 303.20 hours

Multivariate Analysis Software

2 models listed

Cyber ​​Intelligence Maltego-Anchor Technologies Co., Ltd.

Cyber ​​Intelligence Maltego

Anchor Technologies Co., Ltd.

120+ people viewing

Last viewed: 2 hours ago

Multivariate Analysis Software

2 models listed

SPHinx-POWDER-SPH Institute Co., Ltd.

SPHinx-POWDER

SPH Institute Co., Ltd.

100+ people viewing

Last viewed: 3 hours ago

Response time: 303.20 hours

Multivariate Analysis Software

2 models listed

Fluid analysis program SPHinx-FLOW-SPH Institute Co., Ltd.

Fluid analysis program SPHinx-FLOW

SPH Institute Co., Ltd.

120+ people viewing

Last viewed: 9 hours ago

Response time: 303.20 hours

Multivariate Analysis Software

3 models listed

Preventive medical care business (systems) KenshinAnaryzer (data analysis system)-Office Mirai Co., Ltd.

Preventive medical care business (systems) KenshinAnaryzer (data analysis system)

Office Mirai Co., Ltd.

110+ people viewing

Last viewed: 8 minutes ago

Multivariate Analysis Software
PC Sales/Setup Original PC Cluster Hyperion Cluster for MD-Fearax Co., Ltd.

PC Sales/Setup Original PC Cluster Hyperion Cluster for MD

Fearax Co., Ltd.

100+ people viewing

Last viewed: 8 hours ago

Multivariate Analysis Software

2 models listed

Work analysis software OTRS-TOAMEC Co., Ltd.

Work analysis software OTRS

TOAMEC Co., Ltd.

5.0

80+ people viewing

Last viewed: 23 hours ago

Response time: 25.11 hours

Multivariate Analysis Software
See More Multivariate Analysis Software Products

Other products of HPC Systems Co., Ltd.

Reviews shown here are reviews of companies.

High-end liquid-cooled workstation with one 4th generation Intel® Xeon® W-3400 processor HPC3000-XSRGPU4TP-LC-HPC Systems Co., Ltd.

High-end liquid-cooled workstation with one 4th generation Intel® Xeon® W-3400 processor HPC3000-XSRGPU4TP-LC

HPC Systems Co., Ltd.

90+ people viewing

Industrial Computers

2 models listed

High-end liquid-cooled workstation with two 5th generation Intel® Xeon® Scalable processors HPC5000-XER216TS-LC-HPC Systems Co., Ltd.

High-end liquid-cooled workstation with two 5th generation Intel® Xeon® Scalable processors HPC5000-XER216TS-LC

HPC Systems Co., Ltd.

60+ people viewing

Industrial Computers
High-end liquid-cooled workstation with two 4th generation Intel® Xeon® Scalable processors HPC5000-XSR216TS-LC-HPC Systems Co., Ltd.

High-end liquid-cooled workstation with two 4th generation Intel® Xeon® Scalable processors HPC5000-XSR216TS-LC

HPC Systems Co., Ltd.

50+ people viewing

Last viewed: 20 hours ago

Industrial Computers
High-end HPC workstation with two 5th generation Intel® Xeon® Scalable processors HPC5000-XER216TS-HPC Systems Co., Ltd.

High-end HPC workstation with two 5th generation Intel® Xeon® Scalable processors HPC5000-XER216TS

HPC Systems Co., Ltd.

60+ people viewing

Industrial Computers
High-end GPU workstation for Deep Learning HPC5000-XERGPU4TS-HPC Systems Co., Ltd.

High-end GPU workstation for Deep Learning HPC5000-XERGPU4TS

HPC Systems Co., Ltd.

70+ people viewing

Last viewed: 2 hours ago

Industrial Computers
High-end GPU workstation for Deep Learning HPC3000-EGNGPU4TC-HPC Systems Co., Ltd.

High-end GPU workstation for Deep Learning HPC3000-EGNGPU4TC

HPC Systems Co., Ltd.

60+ people viewing

Industrial Computers
HPC workstation with Intel® Xeon® W-2400/2500, 3400 processor HPC3000-XSR108TS-HPC Systems Co., Ltd.

HPC workstation with Intel® Xeon® W-2400/2500, 3400 processor HPC3000-XSR108TS

HPC Systems Co., Ltd.

70+ people viewing

Industrial Computers
Entry HPC workstation equipped with up to 24 cores of Intel® Core™ processor and can be equipped with GPU HPC2000-CRLGPU1TS-HPC Systems Co., Ltd.

Entry HPC workstation equipped with up to 24 cores of Intel® Core™ processor and can be equipped with GPU HPC2000-CRLGPU1TS

HPC Systems Co., Ltd.

70+ people viewing

Last viewed: 18 hours ago

Industrial Computers
Entry HPC workstation with up to 24 cores of Intel® Core™ processor HPC2000-CRL104TS-D6-HPC Systems Co., Ltd.

Entry HPC workstation with up to 24 cores of Intel® Core™ processor HPC2000-CRL104TS-D6

HPC Systems Co., Ltd.

50+ people viewing

Industrial Computers
HPC Workstation with 4th Generation Intel® Xeon® Scalable Processor HPC5000-XSR216TC-HPC Systems Co., Ltd.

HPC Workstation with 4th Generation Intel® Xeon® Scalable Processor HPC5000-XSR216TC

HPC Systems Co., Ltd.

60+ people viewing

Industrial Computers
High-end GPU server HPC3000-GH200R1S for Deep Learning-HPC Systems Co., Ltd.

High-end GPU server HPC3000-GH200R1S for Deep Learning

HPC Systems Co., Ltd.

80+ people viewing

Server Blades

2 models listed

Equipped with one 4th generation Intel® Xeon® Scalable processor (up to 60 cores) HPC3000-XSR116FS12R2S-HPC Systems Co., Ltd.

Equipped with one 4th generation Intel® Xeon® Scalable processor (up to 60 cores) HPC3000-XSR116FS12R2S

HPC Systems Co., Ltd.

60+ people viewing

File Server Resource Management

View more products of HPC Systems Co., Ltd.

About Company Handling This Product

HPC Systems Co., Ltd.

Related search keywords

Multivariate Analysis Software
Multivariate Analysis Software　HPC Systems Co., Ltd.
HPC Systems Co., Ltd.

This is the version of our website addressed to speakers of English in the United States. If you are a resident of another country, please select the appropriate version of Metoree for your country in the drop-down menu.

Copyright © 2025 Metoree