Thanks. I was wondering if anyone has created a more precise FF for ammonia, but GAFF may be good enough. I’ll try it.
Thanks,
—
Gustavo Seabra.
> Em 4 de fev de 2017, à(s) 01:18, Andrew Schaub <aschaub.uci.edu> escreveu:
>
> Maybe use GAFF,
>
> https://mulan.swmed.edu/group/gaff.php
>
> If you wanted to ensure it was suitable you could compare liquid properties
> such as density at 25C.
>
> On Sat, Feb 4, 2017 at 1:43 Gustavo Seabra <gustavo.seabra.gmail.com> wrote:
>
>> Dear all,
>>
>> I wonder if anyone here has already worked on ammonia (NH3) as a solvent.
>> What force field would you recommend? Are the parameters available
>> somewhere?
>>
>> Thanks,
>> —
>> Gustavo Seabra.
>>
>>
>>
>>
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Received on Mon Feb 06 2017 - 07:30:02 PST
