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  2. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    High Performance MD, highly flexible, Python scriptable Free open source MIT: OpenMM: Orac: No No Yes Yes No Yes No Yes No Molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomic level Free open source: Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA

  3. Radius of gyration - Wikipedia

    en.wikipedia.org/wiki/Radius_of_gyration

    Radius of gyration (in polymer science)(, unit: nm or SI unit: m): For a macromolecule composed of mass elements, of masses , =1,2,…,, located at fixed distances from the centre of mass, the radius of gyration is the square-root of the mass average of over all mass elements, i.e.,

  4. Gyroradius - Wikipedia

    en.wikipedia.org/wiki/Gyroradius

    It is often useful to give the gyrofrequency a sign with the definition = or express it in units of hertz with =. For electrons, this frequency can be reduced to , = (/).. In cgs-units the gyroradius = | | and the corresponding gyrofrequency = | | include a factor , that is the velocity of light, because the magnetic field is expressed in units [] = / /.

  5. Q (software) - Wikipedia

    en.wikipedia.org/wiki/Q_(software)

    Q is a computer software package for molecular dynamics (MD) simulation (current release: Q6). Unlike other MD codes, it has specialized since its conception (Marelius et al. 1998) on three specific types of free energy calculations.

  6. List of computer simulation software - Wikipedia

    en.wikipedia.org/wiki/List_of_computer...

    JMAG - simulation software for electric device design and development. Khimera - a chemical kinetics simulation software tool developed by Kintech Lab. Lanner WITNESS - a discrete event simulation platform for modelling processes and experimentation. Lanner L-SIM Server - Java-based simulation engine for simulating BPMN2.0 based process models.

  7. Comparison of nucleic acid simulation software - Wikipedia

    en.wikipedia.org/wiki/Comparison_of_nucleic_acid...

    Molecular dynamics; Molecular design software; Molecule editor; Quantum chemistry computer programs; List of molecular graphics systems; List of protein structure prediction software; List of sequence alignment software; List of gene prediction software; List of RNA structure prediction software; Comparison of software for molecular mechanics ...

  8. List of free and open-source computer simulation software

    en.wikipedia.org/?title=List_of_free_and_open...

    List of free and open-source computer simulation software. Add languages ... English. Read; Edit; View history; Tools. Tools. move to ... List of computer simulation ...

  9. Category:Free simulation software - Wikipedia

    en.wikipedia.org/wiki/Category:Free_simulation...

    This is a category of articles relating to software which can be freely used, copied, studied, modified, and redistributed by everyone that obtains a copy: "free software" or "open source software". Typically, this means software which is distributed with a free software license , and whose source code is available to anyone who receives a copy ...