Spoken-Tutorial logo Spoken Tutorial
  • Software Training
    • Software Training
      • About the Training
      • Progress to Date
      • Software Offered
      • Contacts for Training
      • Change in Training Policy
      Procedures
      • Organising Training
      • Instruction for Downloading Tutorials
      • Create Your Own Disc Image
      • Resource Centers
      Training
      • Training & Payment Dashboard
      • Semester Training Planner Summary (STPS)
      • Student Dashboard
      • newIndividual Learning
      • Individual Learning Workshop
      • Verify ILW test certificate
      • Subscription
      Online Test
      • Instruction for Invigilator
      • Instruction for Participants
      • Certificate Verification Link
      • Email Verification Link
      • newJob Recommendation
  • Creation
      • Creation Process
      • Outline and Script
      • Creation Dashboard
      • Suggest a Topic
      • Suggest an Example
      • Collaborate with Us
  • News
    • Testimonials
    • Articles on Spoken Tutorial project
    • Events & Happenings
    • Research / Popular Articles
  • Academics
    • MOOCs acceptance
    • Official Letters and Links
    • Articles on University tie-ups/workshops
  • About
    • About Us
    • Team
    • Mission
    • Brochures
    • FOSSEE Semester-long Internship 2022
    • Health and Nutrition page
    • Archived FOSS
    • Project Documents
  • Forums
  • Statistics
    • Training
    • FDP Training
    • Creation Content
    • Online-Test
    • Academic Center
    • India Map
    • Motion Charts
    • ILW Training
  • Login
  • Register

Production Run for Lysozyme - English

  • Questions posted on Forums
  • Gromacs Tutorials - English
  • No questions yet

    9
    • 1 Installation of Gromacs on Windows OS - thumb
      Installation of Gromacs on Windows OS
    • 2 Installation of VMD - thumb
      Installation of VMD
    • 3 PDB File Format and Website - thumb
      PDB File Format and Website
    • 4 Creating Input Files - thumb
      Creating Input Files
    • 5 Solvate and Grompp Commands - thumb
      Solvate and Grompp Commands
    • 6 Energy Minimization - thumb
      Energy Minimization
    • 7 Temperature and Pressure Equilibration - thumb
      Temperature and Pressure Equilibration
    • 8 Visualization With VMD - thumb
      Visualization With VMD
    • Production Run for Lysozyme - thumb
      Production Run for Lysozyme

1722 visits


  1. Report Missing Component
  2. Post your Question on the Forum

Outline:

About input file for MD Timescale of motions Time taken for MD Run MD for 1ns About Output files About Data Analysis, PCA, energetics About xtc trajectory file View trajectory with xtc file in VMD About RMSD trajectory tool and RMSD plot Align the structure in a frame with a reference molecule

Width:862 Height:636
Duration:00:14:28 Size:10.3 MB

Show video info

Pre-requisite


Visualization With VMD

  Assignment

Code files


  • code-file-production/
  • code-file-production/md.mdp
  • code-file-production/npt.edr
  • code-file-production/npt.gro
  • code-file-production/md-files/
  • code-file-production/md-files/md-1.cpt
  • code-file-production/md-files/md-1.edr
  • code-file-production/md-files/md-1.gro
  • code-file-production/md-files/md-1.log
  • code-file-production/md-files/md-1.tpr
  • code-file-production/md-files/md-1.trr
  • code-file-production/md-files/md-1.xtc
  • code-file-production/md-files/mdout.mdp

Script

Slides


  • st-logo-new.png
  • md.tex
  • md.pdf

  Additional reading material

  • FOSSEE Project
  • Scilab
  • eSim (Oscad)
  • Python
  • OpenFoam (CFD)
  • Aakash Labs
  • Co-learn
  • Education Mission
  • Software Training
  • Contacts for Training
  • Training Dashboard
  • Creation Dashboard
  • About Us
  • News
  • Terms & Conditions
  • Privacy Policy
  • page loads

    Click here to view stats

IITB Logo
Developed at IIT Bombay

CC logo Spoken Tutorial, created on or before 31 Jan. 2025, by IIT Bombay is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License, except where stated otherwise
Based on a work at https://spoken-tutorial.org. Permissions beyond the scope of this license may be available at https://spoken-tutorial.org.

Spoken Tutorial, developed at IIT Bombay, is brought to you by EduPyramids Educational Services Private Limited (DBA: EduPyramids Educational Services Pvt Ltd.). EduPyramids Educational Services Private Limited is currently incubated at SINE IIT Bombay. All transactions will be processed under the name EduPyramids Educational Services Private Limited.