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Glass transition temperature notebook
0.0 out of 5 stars
23 May 2017 | Tools | Contributor(s): Benjamin P Haley, Lorena Alzate-Vargas
Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook
Change simulation box once in LAMMPS
Closed | Responses: 0
I have the following problem:
I generate successfully in Polymer Modeler an initial configuration of PE (degree of polymerization 100, 26 chains) in a box of...
LAMMPS structure generator
07 Nov 2016 | Tools | Contributor(s): Benjamin P Haley
Convert a molecular structure file to a LAMMPS data file with force field parameters
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...
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.
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
Error message: Can’t find file log.lammps
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...
26 Feb 2015 | Tools | Contributor(s): Benjamin P Haley
Run LAMMPS by uploading a data file and command script.
Resources for Materials Science and Engineering
Ab initio electronic structure simulation tools
:ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...
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...
Can I request for multiple nodes when running LAMMPS on Nanohub?
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....
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...
3.5 out of 5 stars
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
31 Mar 2010 | Tools | Contributor(s): Ashlie Martini, Jianguo Wu
Molecular dynamics simulation of atomic stick-slip friction