Hi,
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 anticipation.Prasenjit Prasenjit Kumar Mukherjee Graduate Student Department of Medicinal Chemistry School of Pharmacy University of Mississippi USA Cell - 662 380 0146 Office - 662 915 1286 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
