Folding Forum

Hi all, We're rolling out a new version of Core 18 (GPU Core) for Linux and Windows. This release fixes performance issues with Nvidia "Maxwell" GPUs as long as you have up to date Nvidia drivers. Specifically, 347.xx and above (Windows), and 346.xx and above (Linux). It still works with o...

Sodium channels initiate signaling in neurons and other cells which go on to become sensations of pleasure and pain, as well as thoughts and feelings. Sodium channel malfunction has been linked with cardiac arrhythmia, epilepsy, and neuropathic pain. These projects simulate a whole voltage-gated sod...

The fix is in beta and will be rolling out ~ next week

Yeah, submit a pull request!

Actually we usually say that F@H produces many, short trajectories! You are correct that we use markov modeling to "stitch together" the short fah trajectories to study long timescale dynamics To answer OP, "trajectories" are all the positions of atoms over time. It is essentiall...

Bruce is correct. We want to use as large a timestep as possible, but it is limited by the fastest motion (hydrogens, because they are very light). We (and most of the MD community) generally stick with 2.0 fs timesteps. There are some tricks we can use to increase the timestep (better sampling) at ...