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1. FittingWizard FittingWizard Public

   A JavaFX application that assists the user for perfoming forcefield parameters optimisation by using Quantum Chemistry and Molecular Dynamics software

   Java 3

2. FittingWizardWeb FittingWizardWeb Public

   A Java-based WebApp that assists the user for perfoming forcefield parameters optimisation by using Quantum Chemistry and Molecular Dynamics software

   JavaScript 5 1

3. read_dcd read_dcd Public

   c++ class + main file example for reading a charmm dcd

   C++ 4 3

4. dssp dssp Public

   dssp : software for secondary structure assignment, now extended for reading MD trajectory files

   C++ 2 1

5. mc_LJ mc_LJ Public

   Forked from FHedin/mc_LJ

   C program for MC simulations applied to Lennard Jones clusters only.

   C 1