gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
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Updated
Nov 27, 2024 - Python
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energy-calculations
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Free WordPress Plugin: Kinetic energy calculator easily finds kinetic energy, mass or velocity with the kinetic energy formula KE = 1/2 mv². Easy to use KE calculator. www.calculator.io/kinetic-energy-calculator/
velocity kinetic kinetics mass energy-calculator kinetic-equations mass-calculator kinetic-energy energy-calculations velocity-calculator
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May 15, 2024 - JavaScript
xBFreE is a powerful and versatile tool for computing the Binding Free Energies using a variety of methods across popular Molecular Dynamics programs
charmm namd gromacs amber ambertools mmgbsa mmpbsa md-simulations energy-calculations gmx-mmpbsa gmx-mmgbsa
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Updated
Nov 14, 2023 - Python
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