Hi Ganesh.
I have access, throw a colleague of mine, to amber based force fields for
this molecule, but made for gromacs program.
Let me know if you are interested.
Sincerely,
Jones
On Wed, Nov 16, 2011 at 5:48 PM, Ganesh Kamath <gkamath9173.gmail.com>wrote:
> Hi All,
> I am looking for force field parameters for ionic liquid [BMIM]+ [TF2N]- .
> I tried to build this molecule using tleap and xleap.
> I get this message when I read in the box of ionic liquid
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-C12-S9-*
> +--- With Sp2 - Sp0
> +--- Sp0 probably means a new atom type is involved
> +--- which needs to be added via addAtomTypes
> +Currently only Sp3-Sp3/Sp3-Sp2/Sp2-Sp2 are supported
> +---Tried to superimpose torsions for: *-C5-S2-*
>
> Any help will be greatly appreciated.
>
> thanks,
> ganesh
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 16 2011 - 13:30:02 PST
