All setup (C++), configuration (PSFGEN), parameter (TOP, PDB) files for molecular dynamics simulations with NAMD2 in the CHARMM27 force field, and visualization with VMD, for organic monolayers, or "molecular sieves", of triangular molecules (TSB-3,5)
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Setup (C++), parameter (PDB, TOP), and configuration (PSFGEN) files for molecular dynamics simulations with NAMD2 in the CHARMM27 force field, and visualization with VMD, for organic monolayers, or "molecular sieves", of triangular molecules (TSB-3,5). Scripted for use in research during Ph.D. program.
avstjohn/MolecularDynamics
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Setup (C++), parameter (PDB, TOP), and configuration (PSFGEN) files for molecular dynamics simulations with NAMD2 in the CHARMM27 force field, and visualization with VMD, for organic monolayers, or "molecular sieves", of triangular molecules (TSB-3,5). Scripted for use in research during Ph.D. program.
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