A method implemented in parameterize
is inspired by GAAMP [1]. A detailed description of our method
will be published soon [2].
General procedure
[1] | L. Huang and B. Roux, Automated Force Field Parameterization for Nonpolarizable and Polarizable Atomic Models Based on Ab Initio Target Data, J. Chem. Theory Comput., 2013, 9 (8), pp 3543–3556. doi: 10.1021/ct4003477 |
[2] | M. J. Harvey, J. M. Damas, G. Martínez and G. De Fabritiis, Small Molecule Forcefield Parameterization with HTMD, in preparation. |