Re: [AMBER] Force Field for Ammonia?

From: <jojartb.jgypk.u-szeged.hu>
Date: Sat, 04 Feb 2017 07:10:21 +0100

Dear Gustavo,
Maybe this page is a suitable starting point:
http://virtualchemistry.org/molecule.php?filename=ammonia.zmat
HTH, Balazs

Idézet (Andrew Schaub <aschaub.uci.edu>):

> 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 Fri Feb 03 2017 - 22:30:02 PST
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