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Raw data files for NMRforMD
License: GNU General Public License v3.0
Shell 10.65%
Python 89.35%
polymer-in-water's Introduction
- Molecular dynamics inputs for LAMMPS and GROMACS
- Scripts for preparing and analyzing molecular dynamics simulations
- Data from my recent publications
My main open-source projects:
- LAMMPS tutorials ๐ LAMMPS step-by-step guides for absolute beginners
- NMRforMD ๐ Python script for the calculation of H-NMR relaxation time
- MDcourse ๐ Learn molecular simulations using Python (under construction)
- MAICoS ๐ molecular analysis of interfacial and confined systems
- The gallery of molecules ๐ high resolution molecules with scripts
- ATB2LAMMPS ๐ a LAMMPS molecule template generator
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