[gmx-users] Is there a way to protonate small molecules with gromacs without editing ffgmx2.hdb file?

[David van der Spoel]

On 2010-07-02 22.00, Arthur Roberts wrote:
> Hi, all,
>
> Is there a way to protonate small molecules with gromacs without editing
> ffgmx2.hdb file?
No, but try the prodrg server.

>
> Sincerely,
> Art
>
> Art Roberts
> 7254 Shoreline Dr. #130
> San Diego, CA 92122
> cell: 206-850-7468
> email: aroberts99163 at yahoo.com
> skype=aroberts92122
>
>
>
>
>


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se