Hi gmxions, I have found many article for calculating partial charges for a ligand using RESP (restricted electro static fitting) within active site using gaussian. But I do not have gaussion, So Is it done also by MOPAC? And if it is so kindly refer me the protocol to do that.
With thanks! B.Nataraj -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - Access all of your messages and folders wherever you are _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
