While some R.E.D. developers monitor the AMBER list, they have their own
mailing list as well. This question is probably more fitting (no pun
intended) there, than here. You will probably get more rapid responses.
q4md-fft.q4md-forcefieldtools.org is their mailing list (their website has
instructions for subscribing, as well as a log of their emails).
All the best,
Jason
On Tue, Nov 2, 2010 at 4:12 PM, Computational Chemist <
computationalchemist.ymail.com> wrote:
> Hi,
>
> Iam beginnig to develop parameters for a set of molecules and I will use
> R.E.D. to derive the charges. Why in the tutorial dimethylalaninedipeptide
> is divided into 3prtions. Can't we just derive charges for the whole
> molecule. I will derive the charges for carboxylic acid as well and Iam
> confused whether I should keep it as awhole molecule or divide it.
>
>
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Nov 02 2010 - 15:00:03 PDT
