https://siba-p.github.io/tags/tools/Recent content in Tools on Sibasankar PanigrahyHugoen-usFri, 09 Oct 2026 10:30:00 +0530https://siba-p.github.io/notebook/2026-10-09-introducing-windowwise/Fri, 09 Oct 2026 10:30:00 +0530https://siba-p.github.io/notebook/2026-10-09-introducing-windowwise/<p>During my PhD I ran a very large number of umbrella-sampling simulations. The two mistakes I made most often were spacing the windows too far apart and using springs too soft for a steep part of the free-energy profile. Both fail quietly: WHAM still returns a smooth-looking curve, and the problem only shows up later, if at all.</p>