HubLot

vim-gromacs

Plugin Vi/Vim to manipulate Gromacs files (syntax highlighting, macros)

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

dotfiles

My configuration files (.screenrc, .vimrc, .bashrc, .gitconfig, etc)

PBxplore

A program to explore protein structures with Protein Blocks

splitleafs

Write a gromacs index file for the leaflets of a bilayer.

bioconda-recipes

Conda recipes for the bioconda channel.

buildH

:computer: Build hydrogens from a united-atom MD of lipids and calculate the order parameter.

colvars

Collective variables module for molecular simulation and analysis programs

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.

lipid_ionINTERACTION

Files related to the NMRlipids II project

Lipids_C36

GROMACS topology files for various lipids for the Charmm36 forcefield

mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

nmrlipids.blogspot.fi

Files related to the nmrlipids.blogspot.fi

planets

PyTopol

A library for converting molecular topologies

QuickSES

Tool to compute molecular Solvent Excluded Surface meshes on the GPU using CUDA

replace_atoms

shinken

Flexible and scalable monitoring framework