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1. AmberMdPrep AmberMdPrep Public

   Wrapper script for preparing explicitly solvated systems for molecular dynamics simulations with Amber.

   Shell 16 4

2. CreateRemdDirs CreateRemdDirs Public

   Automatically generate input for running M-REMD simulations (and more) in Amber.

   C++ 4 4

3. pytraj pytraj Public

   Forked from Amber-MD/pytraj

   Python API for cpptraj: a data analysis package for biomolecular simulation

   Jupyter Notebook 1

4. cpptraj cpptraj Public

   Forked from Amber-MD/cpptraj

   Biomolecular simulation trajectory/data analysis.

   C++ 1 1

5. Solvate.sh Solvate.sh Public

   Wrapper script for 'tleap' to solvate a system with specific number of water molecules.

   Shell 1 1

6. modXNA modXNA Public

   Main driver script for modXNA

   Shell 1