[gmx-users] AMBER ff10 with Gromacs
Thomas Piggot
t.piggot at soton.ac.uk
Thu Nov 28 16:23:14 CET 2013
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
>> --
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--
Dr Thomas Piggot
University of Southampton, UK.
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