Re: [AMBER] EHBOND values and RESTRAINT values in mdout file

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 9 Nov 2012 10:02:55 -0500

On Fri, Nov 9, 2012 at 9:13 AM, Pyle, Ronald <ronald.pyle.ttu.edu> wrote:

> THANKS to both tec3 and Jason for the explanations. Good to know that I
> have done nothing "wrong" and that this is not an "error" in my simulation.
>
> So, if I want to know about the H-bonds, the archives provide direction to
> go to a specific tutorial. Which I did and found very helpful guidance for
> H-bond analysis for proteins. Is there a tutorial for H-Bond analysis for
> DNA or has someone on the list used the H-bond analysis for DNA; that
> wouldn't mind providing some guidance and/or scripts??
>

I suggest looking at the AmberTools manual for the hbond command in the
cpptraj section.

Good luck,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Nov 09 2012 - 07:30:03 PST
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