Repositories list

• Enhanced_Sampling_Methods_Tutorials

  Public
  Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..

  mdmetadynamicsrest2+ 4

  mdmetadynamicsrest2tassumbellasamplingtamdremd

  Shell

  •1919 forks•4848 stars•00 issues•11 pull request•Updated Feb 11, 2021Feb 11, 2021

• BASH_SCRIPTS

  Public
  Few important bash scripts which are useful to the server admin and analysis of trajectories as well.

  bashadminserver+ 1

  bashadminserverbash-script

  Shell

  •

  Apache License 2.0

  •22 forks•11 star•00 issues•00 pull requests•Updated Mar 2, 2020Mar 2, 2020

• TCL_VMD_SCRIPTS

  Public
  A few useful vmd trajectory analysis scripts

  analysisscriptstcl+ 2

  analysisscriptstclvmdtrajectory

  Tcl

  •

  Apache License 2.0

  •33 forks•55 stars•00 issues•00 pull requests•Updated Jul 12, 2019Jul 12, 2019

• Workshop_for_Free-energy_Calculations

  Public
  Resources & Study materials are available presented at workshop FECCBS organised at IIT Kanpur, by Prof. Nisanth Nair

  11 fork•22 stars•00 issues•00 pull requests•Updated Apr 3, 2019Apr 3, 2019

• Create_Passwordless_login_to_remote_server

  Public
  A Bash Scrit to make password less login to remote sever using ssh-key.

  Shell

  •11 fork•11 star•00 issues•00 pull requests•Updated Mar 25, 2019Mar 25, 2019

• Documentation

  Public
  A documentation project website for the codes produced / worked with in our lab.

  GNU General Public License v3.0

  •11 fork•00 stars•00 issues•11 pull request•Updated Feb 18, 2019Feb 18, 2019

• Vreco_CPMD

  Public
  CPMD Free Energy Surface Reconstruction

  fortranfortran90metadynamics

  fortranfortran90metadynamics

  Roff

  •

  GNU General Public License v3.0

  •11 fork•33 stars•11 issue•00 pull requests•Updated May 14, 2018May 14, 2018

• BigDFT

  Public
  A git repository of the BigDFT launchpad project. (For feature development)

  Fortran

  •11 fork•77 stars•00 issues•00 pull requests•Updated Jul 6, 2017Jul 6, 2017