[gmx-users] virtual sites for ligands?

[Mark Abraham]

Hi,

No, you'll have to build such a topology yourself

Mark

On Fri., 12 Jul. 2019, 19:21 Carlos Navarro, <carlos.navarro87 at gmail.com>
wrote:

> Dear gmx-users,
> Is there a way to create a vsite-H topology of a ligand using gromacs
> (pdb2gmx)?
> Best regards,
> Carlos
>
> ——————
> Carlos Navarro Retamal
> Bioinformatic Engineering. PhD.
> Postdoctoral Researcher in Center of Bioinformatics and Molecular
> Simulations
> Universidad de Talca
> Av. Lircay S/N, Talca, Chile
> E: carlos.navarro87 at gmail.com or cnavarro at utalca.cl
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.