ligand topology all forcefield

g mmpbsa latest version compilation & testing

Amber MD/ Ambertools installation

Co-ordination Number, Crystal Field theory, Slater rule, Effective Nuclear Charge

Mechanical properties of Solids, Composite Materials, XPS, X-ray diffraction, Miller Indices

Polymer Chemistry

HSAB, Electrochemistry, Thermodynamics, Corrosion and Pourbaix

Basic Organic Chemistry, Drugs

cp2k installation on Windows via wsl/ Ubuntu

Small molecules MD simulation using Gromacs

Demo

g_mmpbsa running and analysis

g mmpbsa installation

Gromacs installation older version

First law of Thermodynamics, Questions

Heat, Work, and Internal Energy

Cyclic Rule in Thermodynamics

Exact and Inexact Diffentiation

Eulers Reciprocity Rule

Differentiation, Integration, Partial Differentiation

Stare function and Path function

Thermodynamics, System, Extensive and Intensive properties

unit 5 MCQs

unit 4 MCQs

unit 3 MCQs

Unit 2 MCQs

unit 1

srm

MMPBSA analysis of protein ligand using gmx_mmpbsa for gromacs trajectories

swiss ADME tutorial