[gmx-users] The charge of cofactor and ligand

Mark Abraham mark.j.abraham at gmail.com
Mon Sep 23 19:40:23 CEST 2013

How do GAFF and acpype work?


On Mon, Sep 23, 2013 at 5:47 PM, aixintiankong <aixintiankong at 126.com> wrote:
> Dear prof,
> can i use the RESP charge for the cofactor NAD+ and AM1-BBC charge for ligand and then  use acpype to  generate GAFF force field parameter for the NAD+ and ligand?
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list