Pinned Repositories
dotfiles
My configuration files (.screenrc, .vimrc, .bashrc, .gitconfig, etc)
g_remove_water
g_remove_water.py takes a gro file containing a bilayer and remove any water molecules inside the bilayer.
groio
A really simple library for gro files
PBxplore
A program to explore protein structures with Protein Blocks
splitleafs
Write a gromacs index file for the leaflets of a bilayer.
vim-gromacs
Plugin Vi/Vim to manipulate Gromacs files (syntax highlighting, macros)
HubLot's Repositories
HubLot/vim-gromacs
Plugin Vi/Vim to manipulate Gromacs files (syntax highlighting, macros)
HubLot/g_remove_water
g_remove_water.py takes a gro file containing a bilayer and remove any water molecules inside the bilayer.
HubLot/groio
A really simple library for gro files
HubLot/dotfiles
My configuration files (.screenrc, .vimrc, .bashrc, .gitconfig, etc)
HubLot/PBxplore
A program to explore protein structures with Protein Blocks
HubLot/splitleafs
Write a gromacs index file for the leaflets of a bilayer.
HubLot/bioconda-recipes
Conda recipes for the bioconda channel.
HubLot/buildH
:computer: Build hydrogens from a united-atom MD of lipids and calculate the order parameter.
HubLot/colvars
Collective variables module for molecular simulation and analysis programs
HubLot/examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
HubLot/lipid_ionINTERACTION
Files related to the NMRlipids II project
HubLot/Lipids_C36
GROMACS topology files for various lipids for the Charmm36 forcefield
HubLot/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
HubLot/nmrlipids.blogspot.fi
Files related to the nmrlipids.blogspot.fi
HubLot/planets
HubLot/PyTopol
A library for converting molecular topologies
HubLot/QuickSES
Tool to compute molecular Solvent Excluded Surface meshes on the GPU using CUDA
HubLot/replace_atoms
HubLot/shinken
Flexible and scalable monitoring framework