Pinned Repositories
Animated-plots-from-MD-Trajectory-gnuplot
Create animated trajectory of MD data using gnuplot
anjibabuIITK
CLUSTER-ANALYSIS-USING-VMD-TCL
Kapakayala Anji Babu , IIT Kanpur, India.
Enhanced_Sampling_Methods_Tutorials
Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
Histogram
A FORTRAN90 code to Caluculate Histogram (Distribution ) for a given data
Kernel_Density_Compression_Algorithm
A model program for Kernel Density Compression Algorithm
Keys-The_Password_Manager
"Keys " is the tool to manage your passwords locally in your PC/laptop.
md-analysis-tools
scripts for analyzing molecular dynamics trajectories using VMD
RECYCLEBIN_for_Linux
Recycle bin for Linux terminal written by Anji Babu Kapakayala.
TCL_VMD_scripts
Some of useful tcl scripts to analyse data from VMD
anjibabuIITK's Repositories
anjibabuIITK/TCL_VMD_scripts
Some of useful tcl scripts to analyse data from VMD
anjibabuIITK/RECYCLEBIN_for_Linux
Recycle bin for Linux terminal written by Anji Babu Kapakayala.
anjibabuIITK/Enhanced_Sampling_Methods_Tutorials
Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
anjibabuIITK/anjibabuIITK
anjibabuIITK/Kernel_Density_Compression_Algorithm
A model program for Kernel Density Compression Algorithm
anjibabuIITK/Keys-The_Password_Manager
"Keys " is the tool to manage your passwords locally in your PC/laptop.
anjibabuIITK/WHAM
Generalized WHAM for periodic and non periodic cases. And also for 1D, 2D and 4D with mpi
anjibabuIITK/Amber_Analysis_Scripts
Amber Analysis scripts
anjibabuIITK/BASH-scripts
Some Useful Bash scripts
anjibabuIITK/CPP_Programs
A collection of few C++ Programs written by me.
anjibabuIITK/DADApy
Distance-based Analysis of DAta-manifolds in python
anjibabuIITK/Docker_Containers
My Docker containers and Dockerfiles
anjibabuIITK/EasyConsoleTool
A TCL VMD Program for the easy and flexible trajectory analysis.
anjibabuIITK/GASS
Globally Accelerated Sliced Sampling
anjibabuIITK/Gnuplot-Script
Kapakayala Anji Babu , IIT Kanpur, India.
anjibabuIITK/Gromacs-scripts
Gromacs molecular dynamics simulation analysis scripts
anjibabuIITK/Gromacs_Analysis_commands
Gromacs Ananlysis
anjibabuIITK/HTASS
The input and reweighting files used fro HTASS method
anjibabuIITK/intro_to_Graphics
This repository contains code for the shaders implemented in the workshop.
anjibabuIITK/MDAnalysis_Scripts
Trajectory Analysis scripts using python & MDAnalysis written by ANJI BABU KAPAKAYALA
anjibabuIITK/Package_Installer
anjibabuIITK/PBREST
The input files and reweighting codes used are available here
anjibabuIITK/ReplicaExchangeWithHybridTempering
Scripts and code for REHT simulation (Paper: "High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme")
anjibabuIITK/Reweighing-TASS-1.1
Reweight TASS based biased simulation from CPMD and PLUMED
anjibabuIITK/Send-Mail-from-Terminal
Kapakayala Anji Babu , IIT Kanpur, India.
anjibabuIITK/Setup-Cronetab
Cronetab
anjibabuIITK/Software_Carpentary_Workshop
anjibabuIITK/Softwares-to-Install-after-new-OS
Kapakayala Anji Babu , IIT Kanpur, India
anjibabuIITK/TASS_REWEIGHTING_PACKAGE
This project is to develope a generalized reweighting code for TASS and its varients using MODULE based FORTRAN90.
anjibabuIITK/vladspirin