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LAMMPS inputs and data files

Home Page: https://lammpstutorials.github.io/

License: GNU General Public License v3.0

all-atoms atomic graphene inputs ions lammps lammps-input molecular molecular-dynamics octave polymer python scripts simulation soft-matter water

lammps-input-files's Introduction

Simon Gravelle

Computer physicist in soft matter and fluids at interfaces in LIPhy, UGA, CNRS

What I share here on GitHub:

Molecular dynamics inputs for LAMMPS and GROMACS
Scripts for preparing and analyzing molecular dynamics simulations
Data from my recent publications

Main open-source projects:

LAMMPS tutorials 🔗 LAMMPS step-by-step guides for absolute beginners
GROMACS tutorials 🔗 GROMACS step-by-step guides for absolute beginners
NMRforMD 🔗 Python script for the calculation of H-NMR relaxation time
MDcourse 🔗 Learn molecular simulations using Python (under construction)
MAICoS 🔗 molecular analysis of interfacial and confined systems

Youtube channel

Videos of molecular simulations, mostly done with LAMMPS and GROMACS 🔗

See also

The gallery of molecules 🔗 high-resolution molecules with scripts
ATB2LAMMPS 🔗 a LAMMPS molecule template generator

lammps-input-files's People

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chengjixian mahna90 rajlw ethan-hdu yyfdemajia wytfy daijiapeng louis-rw zhu-liu jeff-wang nextzenstudent nkm-ml shahriarabdullah hityingph iamkxu christianzhao luckieddd wertheimkhon loggging quansilong kairosll mixzeng jianxiangshen tanmayakash imaranresearch tijinsaji yhuang-thu devargya1997 jackdelasoudas raytangcityu xinjianouyang alex-x-li jeffery-li0513 himanshugoel2797 michaelalloy vytrom yeshixing oldbiden neilllllllllllll hello-arun hehede drpengyu fankang971214 xiaosy567 engr-hza2000 khizraaw 792661050 joyhaha2021 maaz2012 liangheng75 wqtangecust zhiyyang2002 rookie1418 espoir-murhula peachrl edge099 jsgou-outlook gehuanhuan abhishek-sarmah jasonchan-1 ssb118 ftry andrewrgarcia 29517 thinkphpstudy marin230507 thangckt bishwajitkar hell-swan mishkat1096 caseyli01 c2jeremy crisnaiitd weizhang88 22124022 mfkiwl 17296 ynfeijiang louzaizhen randomme alizaresangdrazi zhgh0304 boyuxin2024 huangxiang701 yychuang starlingmd lichaofang jihongshi

lammps-input-files's Issues

Coarse grain polymer chain molecular dynamic simulation using lammps?

How to write an input script and data file for single chain polycarbonate in lammps for coarse grained polymer MD simulation?

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