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

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Version 3.23 - published on 19 May 2016

doi:10.4231/D3X921K69 cite this

This tool is closed source.

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Recent Questions (21)
1596 What are the Dreiding paramters for graphene ?
Asked by Abhilash Harpale Open 1
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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
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1498 Why does my simulation end with an error?
Asked by Anonymous Open 1
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1394 Polymer modeler and Mavericks
Asked by João Ribeiro Open 2
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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
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1029 Proper z-matrix format
Asked by Varun Gopal Open 1
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1008 Building certain polymers
Asked by Elie Moujaes Open 1
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895 z-matrix of Polyacrylamide monomer
Asked by Alexander Pushkarchuk Open 2
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865 introduce a solvent
Asked by Alexander Pushkarchuk Open 1
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836 missing bonds
Asked by Shyno Mathew Open 1
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781 error during equalization with polyethylene structure
Asked by Jungkyu Park Open 2
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660 How can I resolve the connection problem?
Asked by Kokou ANOUKOU Open 1
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650 cross-link
Asked by Maurizio Zaccheddu Open 1
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911 error when producing z-matrix
Asked by Iwan Sahputra Closed 1
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745 save input data file
Asked by Anonymous Closed 1
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703 limited number of polymer chains
Asked by Anonymous Closed 4
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686 “ERROR: Illegal fix nvt/npt/nph command”
Asked by Suk Joon Na Closed 1
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