Generating force field for novel molecules

From: MOHAMMAD JAVAD AGHAEI (mj_aghaei_at_aut.ac.ir)
Date: Wed May 23 2012 - 03:16:36 CDT

​Hi all

Does anyone have any experience in generating force field parameters for novel small molecules (e.g. morphine) using quantum mechanics softwares (semi-empirical or ab-initio).
If so, it would be so nice of them to share their experience.

Best Regards
Mohammad Javad Aghaei
AmirKabir University of Technology
Tehran, Iran
mj_aghaei_at_aut.ac.ir

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