Coder Social home page Coder Social logo

Comments (1)

schallerdavid avatar schallerdavid commented on June 27, 2024

Hi @EvilScience94 ,

I can't spot any obvious problems in the config file, but here are some things you could check:

  • first frame is set to 1001 --> this means the first 1000 frames of the trajectory will be skipped, how many do you have in the trajectory?
  • you defined the location of the grid with the center and edge length parameters, did you check if the recentered trajectory stays in this area over the course of the 10 ns?
  • for the feature generation it is not an immediate problem, but I remember ligandscout has problems visualizing non-cubic grids, if you intend to use ligandscout for this consider an edge length of e.g. 30, 30, 30

Please let me know if you were able to solve the problem!

All the best,
David

from pyrod.

Related Issues (11)

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. 📊📈🎉

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google ❤️ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.