[gmx-users] Parameters for manganese Mn2+

[Hermann, Johannes]

Dear all,

perhaps a more general question: How do I convert Lennard Jones 
parameter from AMBER to GROMACS?

Thank you!

All the best

Johanes


On 23.07.2018 15:27, Hermann, Johannes wrote:
> Dear all,
>
> how can I convert AMBER parameters for usage in gromacs. In 
> particular, I need parameters for manganese Mn2+. I found the 
> corresponding AMBER parameters here:
>
> http://research.bmh.manchester.ac.uk/bryce/amber#ion
>
> Thank you very much!
>
> All the best
>
> Johannes
>

-- 
______________________________________
*Technische Universität München*
*Johannes Hermann, M.Sc.*
Lehrstuhl für Bioverfahrenstechnik
Boltzmannstr. 15
D-85748 Garching
Tel: +49 8928915730
Fax: +49 8928915714

Email: j.hermann at lrz.tum.de
http://www.biovt.mw.tum.de/