[gmx-users] Ligand_charges

pkmukher pkmukher at olemiss.edu
Thu Apr 12 05:26:04 CEST 2007


  I am a new user of GROMCAS.I would like to estimate the
partial charges of my ligand using the ChelpG option of the
gaussian program. Could you kindly guide me as to how i
should carry out this calculation. If there are any online
tutorials one this could you kindly direct me to it. Any
other suggestions is also welcome. Thanking you in

Prasenjit Kumar Mukherjee
Graduate Student
Department of Medicinal Chemistry
School of Pharmacy
University of Mississippi

Cell   - 662 380 0146
Office - 662 915 1286 

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