For molecules with internal degrees of freedom (dihedral rotation around single bonds) the Dihedral Parametrizer module automatically calculates customized force field for rotation around all single bonds. Further information on applicability, method and algorithm is available in the DihedralParametrizer Documentation or here: Parametrization.pdf
- Follow the links to find out how to use the DihedralParametrizer using GUI or command line.
- For the v2 version of DHP: Please refer to respective documentation here (GUI) and here (GUI)
- Check out the DihedralParametrizer webinars for step-by-step instructions
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