All Categories (1-13 of 13)

  1. Can I request for multiple nodes when running LAMMPS on Nanohub?

    Closed | Responses: 0

    The LAMMPS tool on Nanohub has two features – atomic slip stick simulator and polymer modeler. Is there a way to perform simulations on LAMMPS other than the above on NANOHUB....


  2. Error message: Can’t find file log.lammps

    Closed | Responses: 1

    I am trying to run a simple test example that I have run before, but all I get is an error message: "Can't find file log.lammps" ... Can't understand the equivalent command...


  3. What are the Dreiding paramters for graphene ?

    Closed | Responses: 1


    I am using lammps to simulate PMMA-graphene composite system. I used polymer modeller to create the PMMA chains. I want to add the graphene sheet but I am not sure what...


  4. when I runn with my own exe.lammps 3 minimize has done but at fix 1 all nvt temp 300.0 300.0 100.0 this error apear: ERROR: All pair coeffs are not set (../pair.cpp:175) I will be very thankfull.

    Closed | Responses: 1


  5. Atomic Stick-Slip

    31 Mar 2010 | Tools | Contributor(s): Ashlie Martini, Jianguo Wu

    Molecular dynamics simulation of atomic stick-slip friction


  6. Dan Karls



    26 Feb 2015 | Tools | Contributor(s): Benjamin P Haley

    Run LAMMPS by uploading a data file and command script.


  8. LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator)

    This page provides links to various nanoHUB resources related to LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator). The Polymer Modeler tool, powered by LAAMPS, builds...


  9. Michael Worku


  10. nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling

    18 Jun 2015 | Tools | Contributor(s): Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina

    Simulated polymerization, equilibration, and characterization of molecular models


  11. Polymatic: A Simulated Polymerization Algorithm

    26 Mar 2013 | Downloads | Contributor(s): Lauren Abbott, Coray Colina

    Polymatic is a set of codes for structure generation of amorphous polymers by a simulated polymerization algorithm. The main task of Polymatic is to perform polymerization steps within a system...


  12. Polymer Modeler

    25 Aug 2010 | Tools | Contributor(s): Benjamin P Haley, Nate Wilson, Chunyu Li, Andrea Arguelles, Eugenio Jaramillo, Alejandro Strachan

    Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties


  13. Resources for Materials Science and Engineering

    Ab initio electronic structure simulation tools ABINIT :ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...