Tags: tool:polymod

All Categories (1-20 of 27)

  1. Is it possible to create polymers which contains Silicon?

    Closed | Responses: 1

    I'm trying to model PDMS, which contains Silicon atoms. The result of the simulation is an error: "Unknown element Si". Any suggestion?


  2. Stress Strain Curve Question

    Closed | Responses: 2


    Great tool! I have a few technical questions.

    1. What are the units of the output Pressures? (Press, Pxx. Pyy, ...., Pyz)

    2. I would like to establish a...


  3. How to obtain stress-strain curve

    Closed | Responses: 1


    Is it possible to obtain a stress-strain curve for a polymer with your tool? I would like to measure Young's Modulus of your polymers.




  4. Use the generated initial configuration in a larger simulation box

    Closed | Responses: 0

    Dear all,

    I have generated successfully an initial configuration of PE in a 50x50x50 A^3 box.

    However, once in LAMMPS, I am interested in studying the interaction of...


  5. How to change density of polymer to more than 1.0 g/cm3

    Closed | Responses: 0

    Hi , i am using LAMMPS to find out friction of between PMMA and some metal substrates . But i need PMMA which is higher than density of 1.0g/cm.

    I thought ,...


  6. Local version?

    Closed | Responses: 0

    Is it possible to use Polymer Modeler locally on my computer?




  7. 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...


  8. 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


  9. how to get a final pdb structure

    Closed | Responses: 1


  10. Why does my simulation end with an error?

    Closed | Responses: 1


    I'm interested in building long polymer chains and was eager to try out this tool. However, it appears that I get an error when I begin a simulation of a polymer built from...


  11. Polymer modeler and Mavericks

    Closed | Responses: 2

    Dear Sir, I'm trying to launch polymer modeler tool in a Mavericks MacOs machine and the site seems to be loading but nothing happens. My java version is updated (version 7 update 60). Can...


  12. Is there a way to specify an orthogonal but non-cubic simulation box or is a cubic box the only option?

    Closed | Responses: 1


  13. I can’t get LAMMPS output files

    Closed | Responses: 1

    I’m trying to run a simulation of Nylon (PA6) using z-matrix. So it works when I try to get structure output only, but in case of LAMMPS output files it makes an error like that: problem...


  14. Builder error

    Closed | Responses: 2


    When I try to construct a single polymer chain either with the available monomers or with my own z-matrix, i get the following output in the log:

    ERROR: builder failed:...


  15. Can i get the simulation for catechol using nanohub?I did it for chitin and cellulose and got results cathechol is not a polymer.

    Closed | Responses: 1


  16. Proper z-matrix format

    Closed | Responses: 1

    Dear Sir

    I am finding it hard to make the z-matrix. I see that the z-matrices of all polymers within the tool starts with H as the initial atom. Open babel can give me the matrix...


  17. Building certain polymers

    Closed | Responses: 1


    I am using Polymer Builder for the first time. I am trying to build teo polymers. One of them is called PE-OC6http://nanohub.org/answers/question/1008

  18. error when producing z-matrix

    Open | Responses: 1

    Dear Sir, I tried to build 10 chains of Polyethylene, each contains 10 monomers. I wanted to produce only the z-matrix as the output. But it was failed. The error message I saw at the end was...


  19. z-matrix of Polyacrylamide monomer

    Closed | Responses: 2

    Dear The Polymer Modeler developers! I build the z-matrix of Polyacrylamide monomer which is give below. But in process of simulation of structure of polymer I get bad structure. Maybe I was...


  20. introduce a solvent

    Closed | Responses: 1

    Diar The Polymer Modeler developers! Can I introduce a solvent such as water or other in the simulation of polymers in Polymer Modeler? Thank you. Alexander