Hi Jones,
Havent used Gromacs but If you provide me the parameters, it would be useful.
thanks,
ganesh
On Wed, Nov 16, 2011 at 3:20 PM, Jones de Andrade <johannesrs.gmail.com> wrote:
> 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
>>
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Received on Wed Nov 16 2011 - 13:30:04 PST
