Category:Molecular dynamics

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Empty strings are not accepted. Molecular dynamics concerns Newtonian motion simulation in systems with hundreds to millions of particles.

Experts

  FieldAE FTEGeneral activities
Pedro Ojeda-May (HPC2N)HPC2NMolecular dynamics
Machine learning
Quantum Chemistry
Training, HPC, Quantum Chemistry, Molecular dynamics, R, advanced support

Software

SoftwareLicenseDescription
AmberRequires licensemolecular dynamics
DesmondFreemolecular dynamics package
GROMACSFreeversatile package for molecular dynamics
LAMMPSFreeclassical molecular dynamics code
NAMDFreeparallel molecular dynamics code
VMDFreevisualise and analyse large biomolecular systems