[gmx-users] Is there force field for the heavy ions?
Mark.Abraham at anu.edu.au
Thu Oct 23 10:24:32 CEST 2008
G.H. Zuo wrote:
> Dear Gromacs users
> I want do some studies about the As and Sn. But I can't found them in
> the regular force field, including
> oplsaa and amber. How can I get the parameters for these ions? Or there
> are some method to obtain
> these parameters?
... with difficulty. See
http://wiki.gromacs.org/index.php/Exotic_Species in the first instance.
More information about the gromacs.org_gmx-users