On this site, these terms apply to software, data and other materials that are available for download. An associated publication either announced the availability of a download or necessitated a download. For example, it might be a publication describing a program available for download or a publication explaining a class of force fields for which we provide […]
The CHI (Carbohydrate Intrinsic) energy functions score oligosaccharide structures based on glycosidic linkage conformations. Glycosidic torsion angles that deviate from the calculated global energy minima are penalized according to the energy curves. The functions were developed by fitting Gaussian equations to the torsional energy profiles of tetrahydropyran-based disaccharide models, which were obtained using quantum mechanical […]
We stopped supporting the AMBER Input Configurator because the field of classical dynamics simulations is moving very rapidly, and we were finding it hard to keep up. That is, the recommended set of inputs, and their inter-relationships, keeps changing, and might differ from one simulation engine to another (e.g., sander vs pmemd). This is particularly true […]
Click here to learn more about file versioning for the GLYCAM parameter sets.
We have occasionally needed to make changes to the GLYCAM06 parameter files. Whenever we do, we give the file a new version number. Click here to learn more about file versioning for the GLYCAM parameter sets.
Answer in progress…. Please pardon any mess while this page is being built. In the meantime, perhaps the information will be of use. If you have questions, please contact us. The tables below list the current capabilities of the GLYCAM-Web parameter sets. Note: these capabilities might differ slightly from those of the point-and-click builder. They […]