Popular repositories

1. Enhanced_Sampling_Methods_Tutorials Enhanced_Sampling_Methods_Tutorials Public

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

   Shell 34 16

2. BigDFT BigDFT Public

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

   Fortran 5 1

3. TCL_VMD_SCRIPTS TCL_VMD_SCRIPTS Public

   A few useful vmd trajectory analysis scripts

   Tcl 5 2

4. Vreco_CPMD Vreco_CPMD Public

   CPMD Free Energy Surface Reconstruction

   Roff 3 1

5. Workshop_for_Free-energy_Calculations Workshop_for_Free-energy_Calculations Public

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

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6. BASH_SCRIPTS BASH_SCRIPTS Public

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

   Shell 1 2