[gmx-users] AMBER ff10 with Gromacs

[Szilárd Páll]

PS: googling AMBER FF10 + GROMACS does give (at least) one relevant
result: http://pubs.rsc.org/en/Content/ArticlePDF/2013/CP/c2cp44100d

They may have something useful and may be willing to share (and it
would certainly be useful to have it in the contrib FF section as
well).

Cheers,
--
Szilárd


On Thu, Nov 28, 2013 at 4:26 PM, Thomas Piggot <t.piggot at soton.ac.uk> wrote:
> In addition to where Szilard said to look, you can also try looking for
> force fields on the user contributions part of the GROMACS website:
>
> http://www.gromacs.org/Downloads/User_contributions/Force_fields
>
> If you need to use AMBER99SB force field with the ParmBSC0 nucleic acid
> parameters, this combination can be found there.
>
> Cheers
>
> Tom
>
>
> On 11/27/2013 02:06 PM, Szilárd Páll wrote:
>>
>> Hi,
>>
>> If you look at share/gromacs/top/ in the GROMACS installation
>> directory you can see which FF-s are included and amberff10 is not
>> there, so the answer is no.
>>
>> Cheers,
>> --
>> Szilárd
>>
>>
>> On Wed, Nov 27, 2013 at 12:33 AM, gromacs query <gromacsquery at gmail.com>
>> wrote:
>>>
>>> Dear All
>>>
>>> I never used Gromacs for nucleic acids. In AMBER there is ff10
>>> (ff99SB+parmbasco+ also one needs to add ions according to water used by
>>> Thomas Cheatham et al.)
>>>
>>> does gromacs include this force field (AMBER ff implemented in gromacs)?
>>>
>>> regards
>>> JIo
>>> --
>>> Gromacs Users mailing list
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>
> --
> Dr Thomas Piggot
> University of Southampton, UK.
>
>
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