[gmx-users] Re: gmx-users Digest, Vol 79, Issue 152

[J. Nathan Scott]

On Tue, Nov 23, 2010 at 9:55 AM,  <gmx-users-request at gromacs.org> wrote:
> J. Nathan Scott skrev 2010-11-23 17.35:
>> Hello Gromacs users,
>>
>> I was wondering, have the AMBER 11 and/or AMOEBA force fields been
>> implemented by anyone for use in Gromacs? The reason I ask is that we
>> are very interested in trying some of our simulations using the AMOEBA
>> force field but would like to stick with the Gromacs engine if at all
>> possible.
>>
>> Thanks in advance for any insight you can provide.
>>
>> Best Wishes,
>>
>> ----------
>> J. Nathan Scott, Ph.D.
>> Postdoctoral Fellow
>> Department of Chemistry and Biochemistry
>> Montana State University
>
> AMOEBA uses a type of point diopoles (iirc) that are not implemented in
> gromacs.
>
> Cheers,
>
> --
> -----------------------------------------------
> Erik Marklund, PhD student
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,    75124 Uppsala, Sweden
> phone:    +46 18 471 4537        fax: +46 18 511 755
> erikm at xray.bmc.uu.se    http://folding.bmc.uu.se/
>

Thanks for the confirmation of what I had already come to suspect, Eric.

Best Wishes,

--
----------
J. Nathan Scott, Ph.D.
Postdoctoral Fellow
Department of Chemistry and Biochemistry
Montana State University