Greenfield group at University of Rhode Island
Molecular simulation applied to real-world systems
- United States of America
- https://web.uri.edu/cheme/meet/michael-l-greenfield/
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QC-partial-charges-AMBER
QC-partial-charges-AMBER PublicStep-by-step procedure for calculating partial atomic charges compatible with the AMBER General Force Field (GAFF), using quantum calculation using the GAMESS software and Antechamber using RESP fi…
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- QC-partial-charges-AMBER Public
Step-by-step procedure for calculating partial atomic charges compatible with the AMBER General Force Field (GAFF), using quantum calculation using the GAMESS software and Antechamber using RESP fitting method.
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