Accelerate GROMACS Molecular Dynamics

GPU Workstations & Servers Optimized for GROMACS

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GPU-Accelerated GROMACS

Accelerate GROMACS MD tasks with the latest NVIDIA GPUs, such as H100, L40S, RTX PRO 6000 Blackwell, RTX 50-Series and more.

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Pre-Configured

Includes example job submission scripts, benchmarks, a fully validated test suite, and the latest software patches delivered with an industry professional's expertise.

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Do More Science!

Exxact systems are fully turnkey, built to perform right out of the box so you avoid the drudgery of configuration and setup.

GPU-Powered GROMACS Servers & Workstations Can Significantly Reduce Time to Solution

gromacs gpu graph pme
gromacs gpu graph rf

GROMACS GPU Workstations for Ease of Use

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AMD Ryzen 9000X/7000X Series Dual GPUWorkstation

VWS-197021938

Starting at

$4,633.20

Highlights
CPU1x AMD Ryzen 9000X/7000X Series CPU (AM5)
GPUUp to 2x NVIDIA RTX PRO 6000 Blackwell Max-Q, RTX 5080, and more.
MEM4x DDR4 Memory Slots (Up to 128GB)
STO3x M.2 + 8x Internal Drives
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AMD Threadripper PRO Quad GPUWorkstation

VWS-109471812

Starting at

$7,773.70

Highlights
CPU1x AMD Ryzen Threadripper PRO 5000WX
GPUUp to 4x NVIDIA RTX PRO 6000 Blackwell or 2x RTX 5090/5080, and more
MEM8x DDR4 ECC Memory Slots (Up to 1TB)
STO2x M.2 + 8x Internal Drives
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Dual Xeon Scalable Multi-GPUWorkstation

TWS-115999024

Starting at

$10,243.20

Highlights
CPU2x 3rd Gen Intel Xeon Scalable Series
GPUUp to 4x NVIDIA H100, RTX 6000, 5000, 4500 Ada, and more
MEM16x DDR4 ECC Memory Slots (Up to 2TB)
STO8x 3.5" Hot-swap + 2x M.2 Slots

GROMACS Multi-GPU Servers for Large Simulations

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Quad GPU Intel Xeon Scalable 2UServer

TS2-100183160

Starting at

$8,989.20

Highlights
CPU2x 4th/5th Gen Intel Xeon Scalable CPUs
GPUUp to 4x Double-Wide GPUs: NVIDIA H100 NVL, RTX PRO 6000 Blackwell, and more
MEM16 DDR5 ECC DIMM Slots (Up to 2TB)
STO4x 3.5" + 2x 2.5" Hot-swap Drives
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10x GPU Dual AMD EPYC 4UServer

TS4-130227231

Starting at

$22,909.70

Highlights
CPU2x AMD EPYC 9005/9004 CPUs
GPUUp to 8x Double-Wide GPUs: NVIDIA H200 NVL, RTX PRO 6000 Blackwell, and more
MEM24x DDR5 ECC DIMM Slots (Up to 3TB)
STOUp to 16x 2.5" NVMe Hot-Swap
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10x GPU Dual Intel Xeon 6700 4UServer

TS4-152232257

Starting at

$25,679.50

Highlights
CPU2x Intel Xeon 6700-series CPUs
GPUUp to 10x Double-Wide GPUs: NVIDIA H200 NVL, RTX PRO 6000 Blackwell, and more
MEM32x DIMM Slots DDR5 ECC (up to 4TB)
STO24x 2.5" Hot-Swap
Unprecendented scientific advancements

AI Accelerated Life Science Discoveries

Powerful computers are using AI and Deep Learning to reach new heights in scientific discovery by automating molecular imaging, simulating molecular tendencies, sequencing extensive genomes, and predicting protein structures.

md software
Molecular Dynamics Software

Precise Tools for Precise Research

Gain peace of mind knowing that your system is ready for research the moment it's turned on. Each Exxact system goes through extensive validating and optimizing procedures before being shipped out. We pride ourselves on delivering turnkey solutions so you can spend less time configuring and more time researching.

Looking for software not mentioned here?

Our Systems Facilitate Any Stage of Research

1. Data Preparation


Data Preparation

1. Data Preparation


Exxact's CryoEM stack features a full suite of tools such as Motioncor, CTFFIND/Gctf and more for Relion reconstructions.

2. 2D Image Processing and 3D Reconstruction


2D Image Processing and 3D Reconstruction

2. 2D Image Processing and 3D Reconstruction


CryoSPARC Relion

3. Create PBD Outputs and Classifications


 Create PBD Outputs and Classifications

3. Create PBD Outputs and Classifications


UCSF Chimera

4. Obtain Structure Files and Prepare Simulation Environment


Obtain Structure Files and Prepare Simulation Environment

4. Obtain Structure Files and Prepare Simulation Environment


5. Conduct Simulation


6. Analysis and Visualization


Analysis and Visualization

6. Analysis and Visualization


UCSF Chimera Schrodinger VMD

Build your ideal system

Need a bit of help? Contact our sales engineers directly.

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