Schrödinger Desmond i7-8700K Molecular Dynamics Workstation offering the latest graphics processing unit (GPU) technology Desmond MD simulation can run up to 200 times faster than on CPU, which can bring up the time scale of interest by orders of magnitude. Desmond supports automated simulation setup, including highly complex Free Energy Perturbation (FEP) calculations, multistage MD simulations with built-in simulation protocols, prediction of equation of states (EOS) at multiple temperatures, and prediction of dynamic responses at non-equilibrium states. An intuitive interface provides intelligent default settings and allows for rapid setup of computational experiments. Powerful analysis tools make it possible to visualize and examine computed results within the same Maestro modeling environment.

Desmond provides a robust framework for the calculation of energies and forces for various force field models and is compatible with those models commonly used in both biomolecular and condensed-matter research, including CHARMM, AMBER, and OPLS.

System Highlights:

-Intel Core i9-7920X Skylake X 12-Core 2.9 GHz LGA 2066
-Noctua Fan NH-U14S Quiet CPU Cooling Performance
-32GB DDR4 3200 Memory
-Samsung Solid State Drive 500GB 970 EVO NVMe M.2 (OS Drive)
-8TB Western Digital HDD 7200 RPM 6GB/s Enterprise
-NVIDIA Quadro P1000 Main Video Card
-GPU NVIDIA QUADRO P5000 16GB GPU Graphic Card
-DVD-RW DRW-24B3ST 24x DVD Reader/Writer
-Air 540 High Airflow ATX Cube Case 1000W Power Supply
-Supports NVIDIA 3D Vision stereoscopic visualization
-CentOS 7
-Configured Desmond GPU computing solutions
-3 Year Warranty