[gmx-users] Charges?

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

Previous message: [gmx-users] Priority of [ pairs ] and nrexcl?
Next message: [gmx-users] Charges?
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

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?

Ciao,

Luciano

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

Previous message: [gmx-users] Priority of [ pairs ] and nrexcl?
Next message: [gmx-users] Charges?
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the gromacs.org_gmx-users mailing list