Popular repositories Loading

1. openmm_constV openmm_constV Public

   openMM plugin to run constant potential molecular dynamics with Image charge method

   C++ 8 3

2. openmm_drudeNose openmm_drudeNose Public

   Dual Nose-Hoover thermostat with extended Lagrangian integration for drude polarizable MD in OpenMM

   C++ 6

3. structure_factor structure_factor Public

   Calculate structure factor for ionic liquids and others (Include msd modules as well)

   Fortran 1 1

4. trj_analysis trj_analysis Public

   Trajectory analysis tools for Ionic Liquids, CcO, and Thermostats

   Fortran

5. PAA_charmm_2017 PAA_charmm_2017 Public

   charmm 2017 force field with custom definitions for PAA & PMA

6. trajmod trajmod Public

   Fortran wrapper module to read both xtc & dcd trajectory files

   M4