Extract forcefield parameters of a small molecule using OPLS2005
Project description
Get started:
To run PlopRotTemp you must use the next command on linux shell:
pip install ploprottemp or conda install -c nostrumbiodiscovery ploprottemp
$ /path/to/academic/schrodinger -m PlopRotTemp.main /path/to/mae/ligand
Test
cd Examples
e.g /opt/schrodinger2017-4/utilities/python /path/to/PlopRotTemp/main.py AS4_INIT.mae
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