Topic: namd Goto Github
Some thing interesting about namd
Some thing interesting about namd
namd,Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
Organization: bio-phys
Home Page: https://mdbenchmark.org
namd,A simple collective-variables module for NAMD via tclforces; implements TAMD
User: cameronabrams
namd,Collective variables library for molecular simulation and analysis programs
Organization: colvars
Home Page: http://colvars.github.io/
namd,Tutorial for converting NAMD psf/pdb files to CHARMM PSF/CRD (credit attributed where appropriate to the AMAZING humans who developed these scripts)
User: fearlessroad
namd,Perform molecular dynamics experiments (MD) with NAMD on colab
User: francescopatane96
namd,a VScode syntax highlight tool for molecular dynamics
User: gxf1212
Home Page: https://marketplace.visualstudio.com/items?itemName=gxf1212.md-highlighter
namd,Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.
Organization: hecbiosim
Home Page: http://www.hecbiosim.ac.uk
namd,Term Paper for PHYS 4500 using NAMD and VMD to study the structure of myoglobin
User: jasonweinzierl
namd,Scripts useful for running NAMD simulations
User: jfaraudo
namd,A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD
User: jhenin
Home Page: https://doi.org/10.33011/livecoms.5.1.2067
namd,study of external electric fields' effects on the tubulin dimer via MD
User: jjti
namd,Bash-based scripts to allow MD simulations with multiple stages using a single major configuration file.
User: jonathanhungerland
namd,PaCS-Toolkit: Optimized software utilities for PaCS-MD and following analysis
Organization: kitaolab
Home Page: https://kitaolab.github.io/PaCS-Toolkit/
namd,Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.
User: leelasd
Home Page: http://traken.chem.yale.edu/ligpargen/
namd,Package to perform minimum-distance distribution analyses of complex solute-solvent interactions
Organization: m3g
Home Page: https://m3g.github.io/ComplexMixtures.jl/
namd,a python package for the interfacial analysis of molecular simulations
User: marcello-sega
Home Page: https://marcello-sega.github.io/pytim/
namd,Scripts used for analysis of various systems and the pertaining variables or reaction coordinates
Organization: molecular-simulation-lab-uv
namd,MDFF-EnTK: Scalable Adaptive Protein Ensemble Refinement Integrating Flexible Fitting
Organization: radical-collaboration
namd,Using VMD and NAMD for molecular dynamics simulation of protein PDB files.
User: sarah-hesham-2022
namd,Config file generator for easier simulations with the Nanoscale Molecular Dynamics (NAMD) software.
User: shmoe6
namd,NAMD build guideline for submission to APAC HPC-AI Competition 2020. Built and tested on the NSCC ASPIRE 1 supercomputer.
User: solomonhaw
Home Page: https://www.hpcadvisorycouncil.com/events/2020/APAC-AI-HPC/competition-details.php
namd,Autodock-Vina, NAMD, VMD
User: trishnasaha
namd,FabMD is a FabSim3 plugin for automated LAMMPS-based simulations.
Organization: ucl-ccs
Home Page: https://fabmd.readthedocs.io
namd,All GROMACS/NAMD initializing files for generating initial structures for polydisperse chains with a set of residues desired by the user. With LigninBuilder, all lignin topologies can be built directly.
User: vaidyanathanms
namd,xBFreE is a powerful and versatile tool for computing the Binding Free Energies using a variety of methods across popular Molecular Dynamics programs
Organization: xbfreenergy
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