[gmx-users] Charges?

Triguero, Luciano O ltriguero at miami.edu
Fri Mar 2 01:41:53 CET 2007

Hi gromacs guru!

Does any know a clever way on how to convert QM charges to group charges as in shown in the residue topology file?



Dr. Luciano Triguero
College of Art and Science
Department of Chemistry
Cox Science Building
1301 Memorial Drive, Room 146
P.O Box 249118
Coral Gables, FL 33124-0431
Cellular: 305-904-2419
Office: 305-284-3938

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