Polymer Modeler

By Benjamin P Haley1, Nate Wilson1, Chunyu Li1, Andrea Arguelles, Eugenio Jaramillo, Alejandro Strachan1

1. Purdue University

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

Launch Tool

You must login before you can run this tool.

Version 3.33 - published on 07 Jul 2017

doi:10.4231/D36H4CS4G cite this

This tool is closed source.

View All Supporting Documents

Recent Questions

Ask a question

Recent Questions (1-20 of 29)
1940 How do I add two different monomers to the tool and specify each on its own?
Asked by Laura Thiessen Open 1
0 Like
1935 PEEK, PGMA modeling
Asked by Subramani Sockalingam Open 1
0 Like
1920 Is it possible to create polymers which contains Silicon?
Asked by Anonymous Open 1
0 Like
1887 Stress Strain Curve Question
Asked by Paul Joseph Wischt Open 2
0 Like
1884 How to obtain stress-strain curve
Asked by Paul Joseph Wischt Open 1
0 Like
1845 Use the generated initial configuration in a larger simulation box
Asked by Jordi Pina Open 0
0 Like
1833 How to change density of polymer to more than 1.0 g/cm3
Asked by Hishgee Hishgee Open 0
0 Like
1829 Local version?
Asked by Anonymous Open 0
0 Like
1596 What are the Dreiding paramters for graphene ?
Asked by Abhilash Harpale Open 1
0 Like
1589 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.
Asked by Anonymous Open 1
0 Like
1563 how to get a final pdb structure
Asked by Xinjie Tong Open 1
0 Like
1498 Why does my simulation end with an error?
Asked by Anonymous Open 1
0 Like
1394 Polymer modeler and Mavericks
Asked by João Ribeiro Open 2
0 Like
1243 Is there a way to specify an orthogonal but non-cubic simulation box or is a cubic box the only option?
Asked by Brian R Novak Open 1
1230 I can’t get LAMMPS output files
Asked by Vasilisa Chupina Open 1
0 Like
1206 Builder error
Asked by Vitaly Botsan Open 2
1034 Can i get the simulation for catechol using nanohub?I did it for chitin and cellulose and got results cathechol is not a polymer.
Asked by Srrenivas Open 1
0 Like
1029 Proper z-matrix format
Asked by Varun Gopal Open 1
0 Like
1008 Building certain polymers
Asked by Elie Moujaes Open 1
0 Like
911 error when producing z-matrix
Asked by Iwan Sahputra Closed 1
0 Like