Re: [AMBER] R.E.D.III.x tutorial1 question

From: Jason Swails <>
Date: Tue, 2 Nov 2010 17:47:52 -0400

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. is their mailing list (their website has
instructions for subscribing, as well as a log of their emails).

All the best,

On Tue, Nov 2, 2010 at 4:12 PM, Computational Chemist <> 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.
> _______________________________________________
> AMBER mailing list

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER mailing list
Received on Tue Nov 02 2010 - 15:00:03 PDT
Custom Search