Re: [AMBER] How to generate Phi_Psi by cpptraj ?

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 1 Jun 2015 17:33:02 -0400

On Mon, Jun 1, 2015 at 5:03 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:

> I often use "multidihedral" command in cpptraj
>
> parm ./Tc5b.top
> trajin md1_prod.Tc5b.x
> multidihedral phi psi resrange 7 out test_multidihedral.dat # phi/psi for
> residue 7, written to test_multidihedral.dat file with format below
>

‚ÄčThis is what I do, too. "multidihedral" is a newer command than
"dihedral", so people with established workflows and scripts using the
latter may not know about (or have never used) the former.

If you are new, I suggest starting with "multidihedral".

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Jun 01 2015 - 15:00:03 PDT
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