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Please read and follow the prerequisites before installing FFParam.

Updates in FFParam v1.2.0

Anmol Kumar 20 May 2023

1. Package is now pip installable.

2. Bug fix in mcsa.py

3. os enviornment of GUI fixed to PySide.

Licensing Bug Fixed on 20th May 2022.

Updates in FFParam v1.1.0

Anmol Kumar 26 April 2022

1. coor shake added at relevant places in ffparam.inp file.

Allows halogen lone pairs in additive ff to be built.

2. New toppar_c36_jul21 put in as toppar directory.

3. drude_toppar_2019 added as toppar_drude directory.

4. mcsa.py algorithm updated.

5. openmm_calc.py now modified to read relative path of toppar files mentioned in toppar_omm.str from user defined launch directory.