Molecular Dynamics Simulation with GROMACS on AMD EPYC 7002 Powered Servers
GROMACS + AMD EPYC: High Performance Molecular Dynamics GROMACS is a powerful open source molecular dynamics package primarily designed for simulations of proteins, lipids, nucleic acids, as well as non-biological…
GROMACS 2019.4 Patch Release Available Now
Newly released GROMACS 2019.4 Patch is available for download now. These release notes document the changes that have taken place in GROMACS since the previous 2019.3 version, to fix known…
GPU Accelerated Cryo-EM using RELION: From Workstation to Supercomputer
Cryo-EM & the Emergence of Massive Datasets With advancements in automation, compute power and visual technology, the scope and complexity of datasets used in cryo-EM have grown substantially. However, various…
Deep Learning Meets Molecular Dynamics: “Predicting Correctness of Protein Complex Binding Operations”- An Interview With Stanford Students
For this blog post, James Montantes from Exxact sat down with some Stanford CS students to discuss their project “Predicting Correctness of Protein Complex Binding Operations” that was presented at the CS229…
LAMMPS Patch Release 31 May 2019
New LAMMPS Patch Release Update Changes since patch release 15 May 2019: More meaningful error messages when a style is not found. Now LAMMPS will report, which package an unrecognized…