AMBER Archive (2007)

Subject: Re: AMBER: leaprc.ff02polEP.r1into xleap

From: David A. Case (case_at_scripps.edu)
Date: Thu Nov 29 2007 - 09:40:04 CST

On Thu, Nov 29, 2007, Denis Courtier wrote:

> Thank you David and Ross.
>
> I have followed your recommendations.

I'm not sure that you have really followed our recommendations. On Nov 28
(http://structbio.vanderbilt.edu/archives/amber-archive/2007/4441.php), I
recommended that you *not* use ff02polEP.

In the mail you quote here, I also wrote:

> > Since it appears you are new to Amber, I would strongly recommend that you
> > gain experience with non-polarizable simulations before trying polarizable
> > ones.

Ross made the same recommendation.

....dac
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