Questions and Answers

0 Dislike

Lili Zhang

Atom number limits in monomer

Dear "Polymer Modeler" Developers,

Is there any limit that restricts the length of backbone chain and the length of side-chain in a monomer?
I am trying to build a monomer which has 7 backbone atoms and 94 side-chain atoms. I got an error from the polymer modeler (ERROR: builder failed: expected file atoms.dat missing) for building this single monomer (it took a few hours and then returned an error).
I tested a monomer with a shorter side-chain (30 side-chain atoms), and the modeler worked fine.

Could it be related to the limited memory/resource allocated to the user? If so, is there a way to get more resource?

I am really grateful for your advice on addressing this issue.
Best wishes
Lili Zhang

Engineering Department
University of Cambridge, UK

Report abuse

1 Responses

  1. 0 Like 0 Dislike

    Benjamin P Haley

    Duplicate of support ticket 333454.  See that ticket for followup responses.

    Reply Report abuse

    Please login to answer the question.

    1. 0 Like 0 Dislike

      Lili Zhang

      Hi Benjamin, sorry for repeating my question here, but there is no followup response to the ticket. Prof. Strachan used my z-matrices and he didn't get any error. But as a general user I am not able to generate a long side-chain monomer. I am wondering if there is an atom-number limit?

      Many thanks!

      Lili

      Reply Report abuse

      Please login to answer the question.

      1. 0 Like 0 Dislike

        Benjamin P Haley

        There is no limit on atom number.  I don't know what Prof Strachan did, but when I try to duplicate your calculation I get the same error you did.  I am trying to diagnose the problem.  When I have an answer, I will post it to the ticket.

        Report abuse