[gmx-users] on prodrug server

Brett brettliu123 at 163.com
Fri Apr 29 15:52:39 CEST 2016

Dear All,

If prodrug server wrongly assign charge group for a ligand, then what should I do? For example, I have a charge group of -1 group, however prodrug server including more atoms for this charge group and make the net charge of this charge group 0 charge.


More information about the gromacs.org_gmx-users mailing list