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Showing 4 open source projects for "software auth program"

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  • 1

    ERmod

    Approximate solvation free energy calculator

    ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER.
    Downloads: 8 This Week
    Last Update:
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  • 2

    SpectralWorks

    View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra

    ...Graphics features allow composing Figures and export to postscript files which can be converted to pdf, imported into photoshop for rasterization, or used in page design software like Illustrator.
    Downloads: 5 This Week
    Last Update:
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  • 3
    PUPIL
    PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface.
    Downloads: 1 This Week
    Last Update:
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  • 4
    orthos

    orthos

    Simulation of EPR spectra of nitroxide biradicals

    The program Orthos is developed to performed simulation (including nonlinear least-squares fitting) of EPR spectra of nitroxide biradicals. The program capabilities include simulation of rigid-limit and slow-motional spectra, of both isotropic and aligned samples. The spectra of multiple paramagnetic species, both bi- and monoradicals can be modeled.
    Downloads: 1 This Week
    Last Update:
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