There are many modules for arranging solvent water molecules and neutralizing the system! It is also possible to refine NMR structures.
"Amber" is a package developed for biomolecules, encompassing modeling, molecular mechanics, and dynamic calculation simulation. In modeling, numerous modules are provided to construct structures using data from nucleic acids and amino acids, as well as to arrange solvent water molecules and neutralize the system. It is also possible to refine NMR structures using experimental data. 【Features】 ■ Numerous modules for arranging solvent water molecules and neutralizing the system ■ Capability to refine NMR structures ■ Tools available for analyzing trajectories of dynamic calculations *For more details, please refer to the PDF materials or feel free to contact us.
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basic information
【Program Overview (Excerpt)】 ■sander: Main program for molecular dynamics calculations ■pmemd: A significantly improved version of sander with enhanced calculation speed ■NAB: A language environment for writing programs specifically designed to manipulate molecular structures *For more details, please refer to the PDF materials or feel free to contact us.
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【Usage Examples (Excerpt)】 ■NMR Refinement ■QM/MM/MD ■NEB Method ■Lipid Bilayer ■Umbrella Sampling *For more details, please refer to the PDF document or feel free to contact us.
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We develop, sell, and support the software CONFLEX for conformational exploration and crystal structure exploration. Additionally, as a sales agent for Gaussian, we sell and support the quantum chemistry calculation software Gaussian and GaussView. As a sales agent for UCSF, we sell and support the molecular dynamics calculation software Amber. We also sell and support ChemDraw as a sales agent for Revvity. We also offer workshops, contract calculations, and provide and install computational chemistry hardware. With our extensive delivery track record, we ensure reliable and careful support. Please feel free to contact us with any requests.