Questions and Answers

0 Like 0 Dislike

Niranjan Sureshkumar

How to input the initial monomer file for creating the condensation polymer if I have the xyz file of the monomer molecule?

I have the xyz file for a monomer (Lactic Acid)

I want to create the polymer Poly Lactic Acid (condensation polymer) using the xyz file for monomer.

I tries running the same but it shows certain errors saying "Expected **** but found ****"

Any help regarding this shall be highly appreciated.

Report abuse

1 Responses

  1. 0 Like 0 Dislike

    Benjamin P Haley

    Hi,

       Thanks for using PolymerModeler!  In the first tab, Monomer structures, select "xyz" from the Monomer format selector.  Then you can right click in the Monomer atoms box to upload your XYZ file.  The builder expects a standard XYZ format, with the first line specifying the number of atoms, N, the second line is a comment that is ignored, then N lines of the form "element x y z".

    Reply Report abuse

    Please login to answer the question.