landao125

Pinned Repositories

2DIR
Language:Fortran00
AmideImaps
Utility program for GROMACS calculating the amide I Hamiltonian for peptides and proteins
Language:TeX00
gmx_tutorials_livecoms
LiveCoMS GROMACS Tutorials Paper
Language:TeX00
gmxtool
tools for GROMACS
Language:JavaScript00
gromacs-ion-water-simulation
This repository contained python code used to do ion water system simulation.
Language:Python00
NISE_2015
This is a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES)
Language:C00
NISE_2017
This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
Language:C00
opt-mhm
WHAM free energy calculation package
Language:C00
pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
Language:Python00
sassena
Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
Language:C++00

landao125's Repositories

landao125/2DIR
Language:Fortran00
landao125/AmideImaps
Utility program for GROMACS calculating the amide I Hamiltonian for peptides and proteins
Language:TeX00
landao125/gmx_tutorials_livecoms
LiveCoMS GROMACS Tutorials Paper
Language:TeX00
landao125/gmxtool
tools for GROMACS
Language:JavaScript00
landao125/gromacs-ion-water-simulation
This repository contained python code used to do ion water system simulation.
Language:Python00
landao125/NISE_2015
This is a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES)
Language:C00
landao125/NISE_2017
This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
Language:C00
landao125/opt-mhm
WHAM free energy calculation package
Language:C00
landao125/pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
Language:Python00
landao125/sassena
Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
Language:C++00
landao125/scinotes
Notes on papers
landao125/water-dynamic
Language:Fortran
landao125/WHAM
An multithreaded weighted histogram analsysis (WHAM) implementation written in Rust
landao125/wham-1
Weighted histogram analysis method